CID 13707497

[1,1'-bi(cyclopropane)]-1-carboxylic acid

Structural Information

Molecular Formula

C₇H₁₀O₂

SMILES

C1CC1C2(CC2)C(=O)O

InChI

InChI=1S/C7H10O2/c8-6(9)7(3-4-7)5-1-2-5/h5H,1-4H2,(H,8,9)

InChIKey

XYVCFEDFMLOASQ-UHFFFAOYSA-N

Compound name

1-cyclopropylcyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 92
Patents: 126.06808 Da
Monoisotopic Mass: 1.2
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]+	127.07536	115.1
[M+Na]+	149.05730	126.8
[M+NH4]+	144.10190	124.7
[M+K]+	165.03124	125.0
[M-H]-	125.06080	128.7
[M+Na-2H]-	147.04275	127.0
[M]+	126.06753	122.6
[M]-	126.06863	122.6

Literature stripe

literature stripe

Patent stripe

patents stripe