CID 82406688

3-cyclopropyl-2-sulfanylidene-2,3-dihydro-1h-imidazole-4-carboxylic acid

Structural Information

Molecular Formula
C7H8N2O2S
SMILES
C1CC1N2C(=CNC2=S)C(=O)O
InChI
InChI=1S/C7H8N2O2S/c10-6(11)5-3-8-7(12)9(5)4-1-2-4/h3-4H,1-2H2,(H,8,12)(H,10,11)
InChIKey
WHKZVHYUYIXOST-UHFFFAOYSA-N
Compound name
3-cyclopropyl-2-sulfanylidene-1H-imidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.03065 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.03793 142.0
[M+Na]+ 207.01987 153.5
[M+NH4]+ 202.06447 149.4
[M+K]+ 222.99381 150.4
[M-H]- 183.02337 148.7
[M+Na-2H]- 205.00532 147.8
[M]+ 184.03010 146.8
[M]- 184.03120 146.8
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.