CID 14295

2-phenylpropan-1-ol

Structural Information

Molecular Formula
C9H12O
SMILES
CC(CO)C1=CC=CC=C1
InChI
InChI=1S/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
InChIKey
RNDNSYIPLPAXAZ-UHFFFAOYSA-N
Compound name
2-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

23
References

7788
Patents

136.08882 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.09610 128.0
[M+Na]+ 159.07804 134.8
[M-H]- 135.08154 130.3
[M+NH4]+ 154.12264 149.1
[M+K]+ 175.05198 133.0
[M+H-H2O]+ 119.08608 122.9
[M+HCOO]- 181.08702 150.4
[M+CH3COO]- 195.10267 171.6
[M+Na-2H]- 157.06349 134.6
[M]+ 136.08827 126.9
[M]- 136.08937 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