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
2
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]+ 191.14305 140.9
[M+Na]+ 213.12499 150.1
[M-H]- 189.12849 147.6
[M+NH4]+ 208.16959 157.4
[M+K]+ 229.09893 147.7
[M+H-H2O]+ 173.13303 136.1
[M+HCOO]- 235.13397 161.6
[M+CH3COO]- 249.14962 185.6
[M+Na-2H]- 211.11044 148.3
[M]+ 190.13522 143.4
[M]- 190.13632 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.