CID 45791020

33795-08-3

Structural Information

Molecular Formula
C12H14O2
SMILES
CC1(CC1(C2=CC=CC=C2)C(=O)O)C
InChI
InChI=1S/C12H14O2/c1-11(2)8-12(11,10(13)14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,13,14)
InChIKey
LWXTZDYJBKYJNP-UHFFFAOYSA-N
Compound name
2,2-dimethyl-1-phenylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

190.09938 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 140.1
[M+Na]+ 213.08860 150.1
[M-H]- 189.09210 147.2
[M+NH4]+ 208.13320 158.2
[M+K]+ 229.06254 148.6
[M+H-H2O]+ 173.09664 136.0
[M+HCOO]- 235.09758 161.7
[M+CH3COO]- 249.11323 184.0
[M+Na-2H]- 211.07405 147.1
[M]+ 190.09883 143.4
[M]- 190.09993 143.4
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