CID 13034

4-ethylbenzyl alcohol

Structural Information

Molecular Formula
C9H12O
SMILES
CCC1=CC=C(C=C1)CO
InChI
InChI=1S/C9H12O/c1-2-8-3-5-9(7-10)6-4-8/h3-6,10H,2,7H2,1H3
InChIKey
YSLBFFIVJGJBSA-UHFFFAOYSA-N
Compound name
(4-ethylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2073
Patents

136.08882 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.096096 127.0
[M+Na]+ 159.078038 135.0
[M-H]- 135.081544 129.6
[M+NH4]+ 154.122643 148.5
[M+K]+ 175.051978 132.8
[M+H-H2O]+ 119.086080 122.0
[M+HCOO]- 181.087021 150.4
[M+CH3COO]- 195.102671 171.8
[M+Na-2H]- 157.063486 134.2
[M]+ 136.08827142 126.9
[M]- 136.08936858 126.9
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