CID 83482602

1518512-63-4

Structural Information

Molecular Formula
C9H10O2S
SMILES
CC1CC1(C2=CC=CS2)C(=O)O
InChI
InChI=1S/C9H10O2S/c1-6-5-9(6,8(10)11)7-3-2-4-12-7/h2-4,6H,5H2,1H3,(H,10,11)
InChIKey
GRFWHJWJLGGMAR-UHFFFAOYSA-N
Compound name
2-methyl-1-thiophen-2-ylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.04015 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.047426 132.0
[M+Na]+ 205.029368 142.3
[M-H]- 181.032874 138.9
[M+NH4]+ 200.073973 150.6
[M+K]+ 221.003308 139.6
[M+H-H2O]+ 165.037410 127.8
[M+HCOO]- 227.038351 150.2
[M+CH3COO]- 241.054001 179.3
[M+Na-2H]- 203.014816 134.8
[M]+ 182.03960142 136.6
[M]- 182.04069858 136.6
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.