CID 4529220

2,2,3-trimethyl-4-phenylcyclopentanecarboxylic acid

Structural Information

Molecular Formula
C15H20O2
SMILES
CC1C(CC(C1(C)C)C(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C15H20O2/c1-10-12(11-7-5-4-6-8-11)9-13(14(16)17)15(10,2)3/h4-8,10,12-13H,9H2,1-3H3,(H,16,17)
InChIKey
YANDMRONFZDPSQ-UHFFFAOYSA-N
Compound name
2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

232.14633 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.153606 153.2
[M+Na]+ 255.135548 160.6
[M-H]- 231.139054 159.0
[M+NH4]+ 250.180153 174.6
[M+K]+ 271.109488 157.3
[M+H-H2O]+ 215.143590 148.2
[M+HCOO]- 277.144531 173.3
[M+CH3COO]- 291.160181 190.1
[M+Na-2H]- 253.120996 153.9
[M]+ 232.14578142 151.8
[M]- 232.14687858 151.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.