CID 4145003

Nalpha-carbobenzyloxy-nepsilon-formyl-l-lysine

Structural Information

Molecular Formula
C15H20N2O5
SMILES
C1=CC=C(C=C1)COC(=O)NC(CCCCNC=O)C(=O)O
InChI
InChI=1S/C15H20N2O5/c18-11-16-9-5-4-8-13(14(19)20)17-15(21)22-10-12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2,(H,16,18)(H,17,21)(H,19,20)
InChIKey
WQGAAAXDBHLCJF-UHFFFAOYSA-N
Compound name
6-formamido-2-(phenylmethoxycarbonylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1372 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.144476 171.4
[M+Na]+ 331.126418 173.7
[M-H]- 307.129924 172.4
[M+NH4]+ 326.171023 184.0
[M+K]+ 347.100358 172.1
[M+H-H2O]+ 291.134460 163.2
[M+HCOO]- 353.135401 193.1
[M+CH3COO]- 367.151051 206.1
[M+Na-2H]- 329.111866 173.0
[M]+ 308.13665142 173.0
[M]- 308.13774858 173.0
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.