CID 52313

73728-61-7

Structural Information

Molecular Formula
C13H18O
SMILES
CC1=CC=C(C=C1)C(C)(C2(CC2)C)O
InChI
InChI=1S/C13H18O/c1-10-4-6-11(7-5-10)13(3,14)12(2)8-9-12/h4-7,14H,8-9H2,1-3H3
InChIKey
LSFLKQLAYCHFNX-UHFFFAOYSA-N
Compound name
1-(1-methylcyclopropyl)-1-(4-methylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

190.13577 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.143046 140.9
[M+Na]+ 213.124988 150.1
[M-H]- 189.128494 147.6
[M+NH4]+ 208.169593 157.4
[M+K]+ 229.098928 147.7
[M+H-H2O]+ 173.133030 136.1
[M+HCOO]- 235.133971 161.6
[M+CH3COO]- 249.149621 185.6
[M+Na-2H]- 211.110436 148.3
[M]+ 190.13522142 143.4
[M]- 190.13631858 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

No patent data available for this compound.