CID 95376

2-(4-methylphenyl)propan-1-ol

Structural Information

Molecular Formula
C10H14O
SMILES
CC1=CC=C(C=C1)C(C)CO
InChI
InChI=1S/C10H14O/c1-8-3-5-10(6-4-8)9(2)7-11/h3-6,9,11H,7H2,1-2H3
InChIKey
CLFDIFDNDWRHJF-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

39
Patents

150.10446 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.11174 131.9
[M+Na]+ 173.09368 139.2
[M-H]- 149.09718 134.4
[M+NH4]+ 168.13828 152.8
[M+K]+ 189.06762 137.2
[M+H-H2O]+ 133.10172 126.9
[M+HCOO]- 195.10266 154.0
[M+CH3COO]- 209.11831 175.7
[M+Na-2H]- 171.07913 137.3
[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

literature stripe

Patent stripe

patents stripe