CID 31072

Carbimazole

Structural Information

Molecular Formula
C7H10N2O2S
SMILES
CCOC(=O)N1C=CN(C1=S)C
InChI
InChI=1S/C7H10N2O2S/c1-3-11-7(10)9-5-4-8(2)6(9)12/h4-5H,3H2,1-2H3
InChIKey
CFOYWRHIYXMDOT-UHFFFAOYSA-N
Compound name
ethyl 3-methyl-2-sulfanylideneimidazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

1286
References

5517
Patents

186.0463 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05358 137.2
[M+Na]+ 209.03552 148.0
[M-H]- 185.03902 139.4
[M+NH4]+ 204.08012 157.4
[M+K]+ 225.00946 146.1
[M+H-H2O]+ 169.04356 131.1
[M+HCOO]- 231.04450 155.2
[M+CH3COO]- 245.06015 178.7
[M+Na-2H]- 207.02097 137.9
[M]+ 186.04575 141.9
[M]- 186.04685 141.9
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