CID 101924406

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

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]+ 347.21768 183.3
[M+Na]+ 369.19962 184.9
[M-H]- 345.20312 181.2
[M+NH4]+ 364.24422 196.0
[M+K]+ 385.17356 186.1
[M+H-H2O]+ 329.20766 177.5
[M+HCOO]- 391.20860 196.1
[M+CH3COO]- 405.22425 214.5
[M+Na-2H]- 367.18507 183.1
[M]+ 346.20985 187.3
[M]- 346.21095 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.