CID 155821686

2766-67-8

Structural Information

Molecular Formula
C5H6N2O3S
SMILES
COC(=O)/N=C\1/NC(=O)CS1
InChI
InChI=1S/C5H6N2O3S/c1-10-5(9)7-4-6-3(8)2-11-4/h2H2,1H3,(H,6,7,8,9)
InChIKey
IWQLKNGZAWOYPW-UHFFFAOYSA-N
Compound name
methyl (NZ)-N-(4-oxo-1,3-thiazolidin-2-ylidene)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.00992 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.01720 134.4
[M+Na]+ 196.99914 142.2
[M-H]- 173.00264 137.0
[M+NH4]+ 192.04374 155.3
[M+K]+ 212.97308 141.0
[M+H-H2O]+ 157.00718 128.6
[M+HCOO]- 219.00812 152.7
[M+CH3COO]- 233.02377 174.8
[M+Na-2H]- 194.98459 135.7
[M]+ 174.00937 134.4
[M]- 174.01047 134.4
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.