CID 59617928

1355058-91-1

Structural Information

Molecular Formula

C₇H₁₂O₂

SMILES

CC(C)[C@@H]1C[C@H]1C(=O)O

InChI

InChI=1S/C7H12O2/c1-4(2)5-3-6(5)7(8)9/h4-6H,3H2,1-2H3,(H,8,9)/t5-,6+/m0/s1

InChIKey

HBYCKISMJZSUDJ-NTSWFWBYSA-N

Compound name

(1R,2S)-2-propan-2-ylcyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 128.08372 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	129.09100	126.8
[M+Na]+	151.07294	138.0
[M+NH4]+	146.11754	135.1
[M+K]+	167.04688	135.6
[M-H]-	127.07644	133.6
[M+Na-2H]-	149.05839	133.0
[M]+	128.08317	131.1
[M]-	128.08427	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe