CID 101924406

(3s)-3,6-bis({[(tert-butoxy)carbonyl]amino})hexanoic acid

Structural Information

Molecular Formula
C16H30N2O6
SMILES
CC(C)(C)OC(=O)NCCC[C@@H](CC(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C16H30N2O6/c1-15(2,3)23-13(21)17-9-7-8-11(10-12(19)20)18-14(22)24-16(4,5)6/h11H,7-10H2,1-6H3,(H,17,21)(H,18,22)(H,19,20)/t11-/m0/s1
InChIKey
YFYIYQVUQNRKIP-NSHDSACASA-N
Compound name
(3S)-3,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.2104 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.217676 183.3
[M+Na]+ 369.199618 184.9
[M-H]- 345.203124 181.2
[M+NH4]+ 364.244223 196.0
[M+K]+ 385.173558 186.1
[M+H-H2O]+ 329.207660 177.5
[M+HCOO]- 391.208601 196.1
[M+CH3COO]- 405.224251 214.5
[M+Na-2H]- 367.185066 183.1
[M]+ 346.20985142 187.3
[M]- 346.21094858 187.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.