CID 127018607

17219-41-9

Structural Information

Molecular Formula
C13H16O2
SMILES
CC1(C(C1(C)C2=CC=CC=C2)C(=O)O)C
InChI
InChI=1S/C13H16O2/c1-12(2)10(11(14)15)13(12,3)9-7-5-4-6-8-9/h4-8,10H,1-3H3,(H,14,15)
InChIKey
OXKYWMXNHAZFCB-UHFFFAOYSA-N
Compound name
2,2,3-trimethyl-3-phenylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

204.11504 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.122316 142.7
[M+Na]+ 227.104258 153.2
[M-H]- 203.107764 150.0
[M+NH4]+ 222.148863 160.6
[M+K]+ 243.078198 151.4
[M+H-H2O]+ 187.112300 138.8
[M+HCOO]- 249.113241 164.0
[M+CH3COO]- 263.128891 188.0
[M+Na-2H]- 225.089706 148.8
[M]+ 204.11449142 146.8
[M]- 204.11558858 146.8
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