CID 82418244

1368344-88-0

Structural Information

Molecular Formula

C₈H₁₂O₂

SMILES

C1CC1C2(CC2)CC(=O)O

InChI

InChI=1S/C8H12O2/c9-7(10)5-8(3-4-8)6-1-2-6/h6H,1-5H2,(H,9,10)

InChIKey

FTUJHABUXCRDIF-UHFFFAOYSA-N

Compound name

2-(1-cyclopropylcyclopropyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 140.08372 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]+	141.09100	139.5
[M+Na]+	163.07294	146.8
[M-H]-	139.07644	145.8
[M+NH4]+	158.11754	150.4
[M+K]+	179.04688	146.5
[M+H-H2O]+	123.08098	135.2
[M+HCOO]-	185.08192	157.9
[M+CH3COO]-	199.09757	185.4
[M+Na-2H]-	161.05839	143.6
[M]+	140.08317	142.9
[M]-	140.08427	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe