CID 54595689

1-cyclopropyl-2-(4-methylphenyl)ethan-1-ol

Structural Information

Molecular Formula
C12H16O
SMILES
CC1=CC=C(C=C1)CC(C2CC2)O
InChI
InChI=1S/C12H16O/c1-9-2-4-10(5-3-9)8-12(13)11-6-7-11/h2-5,11-13H,6-8H2,1H3
InChIKey
OBGVNAJPYDPQPG-UHFFFAOYSA-N
Compound name
1-cyclopropyl-2-(4-methylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.12012 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.12740 135.6
[M+Na]+ 199.10934 143.9
[M-H]- 175.11284 141.9
[M+NH4]+ 194.15394 150.5
[M+K]+ 215.08328 140.7
[M+H-H2O]+ 159.11738 129.4
[M+HCOO]- 221.11832 157.7
[M+CH3COO]- 235.13397 183.6
[M+Na-2H]- 197.09479 140.8
[M]+ 176.11957 137.1
[M]- 176.12067 137.1
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.