CID 51888158

Rac-(1r,2r)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxylic acid, trans

Structural Information

Molecular Formula
C9H10O2S
SMILES
CC1=CC=C(S1)[C@@H]2C[C@H]2C(=O)O
InChI
InChI=1S/C9H10O2S/c1-5-2-3-8(12-5)6-4-7(6)9(10)11/h2-3,6-7H,4H2,1H3,(H,10,11)/t6-,7-/m1/s1
InChIKey
FQKROEPGEPPLKM-RNFRBKRXSA-N
Compound name
(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.04015 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.04743 140.8
[M+Na]+ 205.02937 152.7
[M+NH4]+ 200.07397 150.0
[M+K]+ 221.00331 148.7
[M-H]- 181.03287 149.7
[M+Na-2H]- 203.01482 147.8
[M]+ 182.03960 146.4
[M]- 182.04070 146.4
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.