CID 14906657

131515-31-6

Structural Information

Molecular Formula

C₇H₁₀O₂

SMILES

C1C2CC1(C2)CC(=O)O

InChI

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

InChIKey

ZXUMFNBFVORNQL-UHFFFAOYSA-N

Compound name

2-(1-bicyclo[1.1.1]pentanyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 126.06808 Da
Monoisotopic Mass: 1.3
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]+	127.075356	141.0
[M+Na]+	149.057298	144.4
[M-H]-	125.060804	143.2
[M+NH4]+	144.101903	146.7
[M+K]+	165.031238	150.6
[M+H-H2O]+	109.065340	127.7
[M+HCOO]-	171.066281	153.2
[M+CH3COO]-	185.081931	200.7
[M+Na-2H]-	147.042746	147.1
[M]+	126.06753142	164.9
[M]-	126.06862858	164.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe