CID 54142618

(3-ethyl-2-methylphenyl)methanol

Structural Information

Molecular Formula
C10H14O
SMILES
CCC1=C(C(=CC=C1)CO)C
InChI
InChI=1S/C10H14O/c1-3-9-5-4-6-10(7-11)8(9)2/h4-6,11H,3,7H2,1-2H3
InChIKey
OCDGENVBNLMBMK-UHFFFAOYSA-N
Compound name
(3-ethyl-2-methylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

150.10446 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.111736 130.9
[M+Na]+ 173.093678 139.5
[M-H]- 149.097184 133.8
[M+NH4]+ 168.138283 152.2
[M+K]+ 189.067618 137.0
[M+H-H2O]+ 133.101720 126.0
[M+HCOO]- 195.102661 154.0
[M+CH3COO]- 209.118311 176.0
[M+Na-2H]- 171.079126 136.9
[M]+ 150.10391142 131.6
[M]- 150.10500858 131.6
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

patents stripe