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

26
Patents

150.10446 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.11174 130.9
[M+Na]+ 173.09368 139.5
[M-H]- 149.09718 133.8
[M+NH4]+ 168.13828 152.2
[M+K]+ 189.06762 137.0
[M+H-H2O]+ 133.10172 126.0
[M+HCOO]- 195.10266 154.0
[M+CH3COO]- 209.11831 176.0
[M+Na-2H]- 171.07913 136.9
[M]+ 150.10391 131.6
[M]- 150.10501 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

No patent data available for this compound.