CID 460415

Ac-lys(z)-oh

Structural Information

Molecular Formula
C16H22N2O5
SMILES
CC(=O)N[C@@H](CCCCNC(=O)OCC1=CC=CC=C1)C(=O)O
InChI
InChI=1S/C16H22N2O5/c1-12(19)18-14(15(20)21)9-5-6-10-17-16(22)23-11-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-11H2,1H3,(H,17,22)(H,18,19)(H,20,21)/t14-/m0/s1
InChIKey
JYUVJQBGBKAJMS-AWEZNQCLSA-N
Compound name
(2S)-2-acetamido-6-(phenylmethoxycarbonylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

322.15286 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.160136 176.9
[M+Na]+ 345.142078 178.5
[M-H]- 321.145584 177.8
[M+NH4]+ 340.186683 188.9
[M+K]+ 361.116018 177.3
[M+H-H2O]+ 305.150120 168.7
[M+HCOO]- 367.151061 197.3
[M+CH3COO]- 381.166711 209.4
[M+Na-2H]- 343.127526 176.7
[M]+ 322.15231142 178.1
[M]- 322.15340858 178.1
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