CID 446127

(2s)-3-phenylpropane-1,2-diol

Structural Information

Molecular Formula
C9H12O2
SMILES
C1=CC=C(C=C1)C[C@@H](CO)O
InChI
InChI=1S/C9H12O2/c10-7-9(11)6-8-4-2-1-3-5-8/h1-5,9-11H,6-7H2/t9-/m0/s1
InChIKey
JHWQMXKQJVAWKI-VIFPVBQESA-N
Compound name
(2S)-3-phenylpropane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

75
Patents

152.08372 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.09100 132.0
[M+Na]+ 175.07294 138.3
[M-H]- 151.07644 132.8
[M+NH4]+ 170.11754 151.6
[M+K]+ 191.04688 136.0
[M+H-H2O]+ 135.08098 126.8
[M+HCOO]- 197.08192 153.0
[M+CH3COO]- 211.09757 170.9
[M+Na-2H]- 173.05839 138.0
[M]+ 152.08317 130.4
[M]- 152.08427 130.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.