CID 105425454

1314700-75-8

Structural Information

Molecular Formula
C13H18O2
SMILES
CC(C)C1=CC=CC=C1C(C)(C)C(=O)O
InChI
InChI=1S/C13H18O2/c1-9(2)10-7-5-6-8-11(10)13(3,4)12(14)15/h5-9H,1-4H3,(H,14,15)
InChIKey
ZFDJCKVKNYJTCK-UHFFFAOYSA-N
Compound name
2-methyl-2-(2-propan-2-ylphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.13068 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.13796 146.6
[M+Na]+ 229.11990 153.1
[M-H]- 205.12340 149.0
[M+NH4]+ 224.16450 165.2
[M+K]+ 245.09384 151.2
[M+H-H2O]+ 189.12794 141.6
[M+HCOO]- 251.12888 165.5
[M+CH3COO]- 265.14453 187.1
[M+Na-2H]- 227.10535 149.9
[M]+ 206.13013 147.0
[M]- 206.13123 147.0
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

No patent data available for this compound.