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]+ 309.14448 171.4
[M+Na]+ 331.12642 173.7
[M-H]- 307.12992 172.4
[M+NH4]+ 326.17102 184.0
[M+K]+ 347.10036 172.1
[M+H-H2O]+ 291.13446 163.2
[M+HCOO]- 353.13540 193.1
[M+CH3COO]- 367.15105 206.1
[M+Na-2H]- 329.11187 173.0
[M]+ 308.13665 173.0
[M]- 308.13775 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.