CID 6993434

N-epsilon-t-butyloxycarbonyl-l-lysine t-butyl ester hydrochloride

Structural Information

Molecular Formula
C15H30N2O4
SMILES
CC(C)(C)OC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)N
InChI
InChI=1S/C15H30N2O4/c1-14(2,3)20-12(18)11(16)9-7-8-10-17-13(19)21-15(4,5)6/h11H,7-10,16H2,1-6H3,(H,17,19)/t11-/m0/s1
InChIKey
XFQQITUYUVFREJ-NSHDSACASA-N
Compound name
tert-butyl (2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

355
Patents

302.22055 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.22783 176.3
[M+Na]+ 325.20977 179.0
[M-H]- 301.21327 175.3
[M+NH4]+ 320.25437 190.8
[M+K]+ 341.18371 179.5
[M+H-H2O]+ 285.21781 170.6
[M+HCOO]- 347.21875 193.9
[M+CH3COO]- 361.23440 209.8
[M+Na-2H]- 323.19522 176.6
[M]+ 302.22000 179.3
[M]- 302.22110 179.3
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