CID 16227714

929975-15-5

Structural Information

Molecular Formula
C10H12N2O2S
SMILES
CC1=C(C(=NC(=N1)C2CC2)SC)C(=O)O
InChI
InChI=1S/C10H12N2O2S/c1-5-7(10(13)14)9(15-2)12-8(11-5)6-3-4-6/h6H,3-4H2,1-2H3,(H,13,14)
InChIKey
ORRAMJLEFDQGPH-UHFFFAOYSA-N
Compound name
2-cyclopropyl-4-methyl-6-methylsulfanylpyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.06195 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.069226 148.6
[M+Na]+ 247.051168 159.5
[M-H]- 223.054674 152.8
[M+NH4]+ 242.095773 159.9
[M+K]+ 263.025108 154.5
[M+H-H2O]+ 207.059210 141.2
[M+HCOO]- 269.060151 163.9
[M+CH3COO]- 283.075801 189.9
[M+Na-2H]- 245.036616 149.7
[M]+ 224.06140142 153.7
[M]- 224.06249858 153.7
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.