CID 97867

2-phenyl-1,2-propanediol

Structural Information

Molecular Formula
C9H12O2
SMILES
CC(CO)(C1=CC=CC=C1)O
InChI
InChI=1S/C9H12O2/c1-9(11,7-10)8-5-3-2-4-6-8/h2-6,10-11H,7H2,1H3
InChIKey
LNCZPZFNQQFXPT-UHFFFAOYSA-N
Compound name
2-phenylpropane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1184
Patents

152.08372 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.090996 131.7
[M+Na]+ 175.072938 138.7
[M-H]- 151.076444 132.8
[M+NH4]+ 170.117543 151.6
[M+K]+ 191.046878 136.4
[M+H-H2O]+ 135.080980 127.1
[M+HCOO]- 197.081921 152.2
[M+CH3COO]- 211.097571 170.4
[M+Na-2H]- 173.058386 139.6
[M]+ 152.08317142 130.3
[M]- 152.08426858 130.3
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