CID 14761779

147228-50-0

Structural Information

Molecular Formula

C₇H₁₂O₂

SMILES

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

InChI

InChI=1S/C7H12O2/c1-2-3-5-4-6(5)7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/t5-,6-/m1/s1

InChIKey

VGXKFXUFNJJDGP-PHDIDXHHSA-N

Compound name

(1R,2R)-2-propylcyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 128.08372 Da
Monoisotopic Mass: 1.8
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	125.7
[M+Na]+	151.07294	135.0
[M-H]-	127.07644	129.4
[M+NH4]+	146.11754	142.6
[M+K]+	167.04688	132.9
[M+H-H2O]+	111.08098	120.5
[M+HCOO]-	173.08192	147.7
[M+CH3COO]-	187.09757	174.7
[M+Na-2H]-	149.05839	130.6
[M]+	128.08317	128.6
[M]-	128.08427	128.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe