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]+ 183.04743 132.0
[M+Na]+ 205.02937 142.3
[M-H]- 181.03287 138.9
[M+NH4]+ 200.07397 150.6
[M+K]+ 221.00331 139.6
[M+H-H2O]+ 165.03741 127.8
[M+HCOO]- 227.03835 150.2
[M+CH3COO]- 241.05400 179.3
[M+Na-2H]- 203.01482 134.8
[M]+ 182.03960 136.6
[M]- 182.04070 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.