CID 104890

N-nitrosothiazolidine-4-carboxylic acid

Structural Information

Molecular Formula
C4H6N2O3S
SMILES
C1C(N(CS1)N=O)C(=O)O
InChI
InChI=1S/C4H6N2O3S/c7-4(8)3-1-10-2-6(3)5-9/h3H,1-2H2,(H,7,8)
InChIKey
LGLMHMRNPVACGS-UHFFFAOYSA-N
Compound name
3-nitroso-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

39
References

10
Patents

162.00992 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.01720 130.0
[M+Na]+ 184.99914 137.7
[M-H]- 161.00264 132.6
[M+NH4]+ 180.04374 151.1
[M+K]+ 200.97308 137.3
[M+H-H2O]+ 145.00718 124.1
[M+HCOO]- 207.00812 148.4
[M+CH3COO]- 221.02377 174.7
[M+Na-2H]- 182.98459 131.8
[M]+ 162.00937 130.6
[M]- 162.01047 130.6
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