CID 719801

N-(2-thiazolyl)glutaramic acid

Structural Information

Molecular Formula
C8H10N2O3S
SMILES
C1=CSC(=N1)NC(=O)CCCC(=O)O
InChI
InChI=1S/C8H10N2O3S/c11-6(2-1-3-7(12)13)10-8-9-4-5-14-8/h4-5H,1-3H2,(H,12,13)(H,9,10,11)
InChIKey
KIGCPAJFAFXJHS-UHFFFAOYSA-N
Compound name
5-oxo-5-(1,3-thiazol-2-ylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

11
Patents

214.04121 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.048486 146.0
[M+Na]+ 237.030428 152.5
[M-H]- 213.033934 147.0
[M+NH4]+ 232.075033 164.3
[M+K]+ 253.004368 150.3
[M+H-H2O]+ 197.038470 139.4
[M+HCOO]- 259.039411 163.5
[M+CH3COO]- 273.055061 182.4
[M+Na-2H]- 235.015876 146.8
[M]+ 214.04066142 147.9
[M]- 214.04175858 147.9
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