CID 57016937

884090-99-7

Structural Information

Molecular Formula

SMILES

CC1(CC1(C(=O)O)Cl)C

InChI

InChI=1S/C6H9ClO2/c1-5(2)3-6(5,7)4(8)9/h3H2,1-2H3,(H,8,9)

InChIKey

CEUNXMNQSLWWMS-UHFFFAOYSA-N

Compound name

1-chloro-2,2-dimethylcyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 148.02911 Da
Monoisotopic Mass: 1.6
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]+	149.036386	123.9
[M+Na]+	171.018328	135.4
[M-H]-	147.021834	128.3
[M+NH4]+	166.062933	144.6
[M+K]+	186.992268	133.4
[M+H-H2O]+	131.026370	122.7
[M+HCOO]-	193.027311	141.2
[M+CH3COO]-	207.042961	174.9
[M+Na-2H]-	169.003776	131.4
[M]+	148.02856142	129.1
[M]-	148.02965858	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe