CID 12867481

81359-18-4

Structural Information

Molecular Formula

SMILES

CC1(CC1(C(=O)O)Br)C

InChI

InChI=1S/C6H9BrO2/c1-5(2)3-6(5,7)4(8)9/h3H2,1-2H3,(H,8,9)

InChIKey

QWWABPIBQUPWPY-UHFFFAOYSA-N

Compound name

1-bromo-2,2-dimethylcyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 191.97859 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]+	192.98587	128.0
[M+Na]+	214.96781	131.4
[M+NH4]+	210.01241	135.5
[M+K]+	230.94175	131.4
[M-H]-	190.97131	133.3
[M+Na-2H]-	212.95326	134.9
[M]+	191.97804	130.1
[M]-	191.97914	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe