CID 57016937

884090-99-7

Structural Information

Molecular Formula
C6H9ClO2
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

50
Patents

148.02911 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.03639 123.9
[M+Na]+ 171.01833 135.4
[M-H]- 147.02183 128.3
[M+NH4]+ 166.06293 144.6
[M+K]+ 186.99227 133.4
[M+H-H2O]+ 131.02637 122.7
[M+HCOO]- 193.02731 141.2
[M+CH3COO]- 207.04296 174.9
[M+Na-2H]- 169.00378 131.4
[M]+ 148.02856 129.1
[M]- 148.02966 129.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe