CID 221893

5406-39-3

Structural Information

Molecular Formula
C10H14O
SMILES
CC1=CC=C(C=C1)CCCO
InChI
InChI=1S/C10H14O/c1-9-4-6-10(7-5-9)3-2-8-11/h4-7,11H,2-3,8H2,1H3
InChIKey
NJIRMTSCELFREO-UHFFFAOYSA-N
Compound name
3-(4-methylphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

28
References

689
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 131.7
[M+Na]+ 173.093678 139.2
[M-H]- 149.097184 134.1
[M+NH4]+ 168.138283 152.6
[M+K]+ 189.067618 136.8
[M+H-H2O]+ 133.101720 126.5
[M+HCOO]- 195.102661 154.7
[M+CH3COO]- 209.118311 174.9
[M+Na-2H]- 171.079126 138.3
[M]+ 150.10391142 131.9
[M]- 150.10500858 131.9
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