CID 105425557

En300-1868390

Structural Information

Molecular Formula
C14H18O2
SMILES
CC(C)(C)C1=CC=CC(=C1)C2(CC2)C(=O)O
InChI
InChI=1S/C14H18O2/c1-13(2,3)10-5-4-6-11(9-10)14(7-8-14)12(15)16/h4-6,9H,7-8H2,1-3H3,(H,15,16)
InChIKey
PLSYEYMCFLNRIG-UHFFFAOYSA-N
Compound name
1-(3-tert-butylphenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.13068 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.13796 147.4
[M+Na]+ 241.11990 156.3
[M-H]- 217.12340 154.1
[M+NH4]+ 236.16450 162.7
[M+K]+ 257.09384 153.9
[M+H-H2O]+ 201.12794 142.7
[M+HCOO]- 263.12888 167.3
[M+CH3COO]- 277.14453 189.7
[M+Na-2H]- 239.10535 153.3
[M]+ 218.13013 150.4
[M]- 218.13123 150.4
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

No patent data available for this compound.