CID 10817

1-(4-methylphenyl)ethanol

Structural Information

Molecular Formula
C9H12O
SMILES
CC1=CC=C(C=C1)C(C)O
InChI
InChI=1S/C9H12O/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8,10H,1-2H3
InChIKey
JESIHYIJKKUWIS-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

2
References

2516
Patents

136.08882 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.096096 127.2
[M+Na]+ 159.078038 134.9
[M-H]- 135.081544 129.9
[M+NH4]+ 154.122643 148.7
[M+K]+ 175.051978 133.2
[M+H-H2O]+ 119.086080 122.3
[M+HCOO]- 181.087021 149.6
[M+CH3COO]- 195.102671 172.7
[M+Na-2H]- 157.063486 133.1
[M]+ 136.08827142 126.5
[M]- 136.08936858 126.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe