CID 16227717

929975-17-7

Structural Information

Molecular Formula
C9H10N2O2S
SMILES
CC1=C(C(=S)N=C(N1)C2CC2)C(=O)O
InChI
InChI=1S/C9H10N2O2S/c1-4-6(9(12)13)8(14)11-7(10-4)5-2-3-5/h5H,2-3H2,1H3,(H,12,13)(H,10,11,14)
InChIKey
SDKITFWILHFYDO-UHFFFAOYSA-N
Compound name
2-cyclopropyl-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

210.0463 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.05358 143.5
[M+Na]+ 233.03552 154.7
[M-H]- 209.03902 146.5
[M+NH4]+ 228.08012 154.5
[M+K]+ 249.00946 148.3
[M+H-H2O]+ 193.04356 136.7
[M+HCOO]- 255.04450 157.8
[M+CH3COO]- 269.06015 184.0
[M+Na-2H]- 231.02097 144.6
[M]+ 210.04575 145.9
[M]- 210.04685 145.9
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

patents stripe