CID 7349648

(2s)-2,6-bis({[(tert-butoxy)carbonyl]amino})hexanoic acid

Structural Information

Molecular Formula
C16H30N2O6
SMILES
CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C16H30N2O6/c1-15(2,3)23-13(21)17-10-8-7-9-11(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
FBVSXKMMQOZUNU-NSHDSACASA-N
Compound name
(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1703
Patents

346.2104 Da
Monoisotopic Mass

2.3
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

literature stripe

Patent stripe

patents stripe