CID 92839

1-phenoxy-2-propanol

Structural Information

Molecular Formula
C9H12O2
SMILES
CC(COC1=CC=CC=C1)O
InChI
InChI=1S/C9H12O2/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
InChIKey
IBLKWZIFZMJLFL-UHFFFAOYSA-N
Compound name
1-phenoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

22
References

40660
Patents

152.08372 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.09100 131.4
[M+Na]+ 175.07294 138.0
[M-H]- 151.07644 133.6
[M+NH4]+ 170.11754 151.7
[M+K]+ 191.04688 136.8
[M+H-H2O]+ 135.08098 125.9
[M+HCOO]- 197.08192 153.9
[M+CH3COO]- 211.09757 173.5
[M+Na-2H]- 173.05839 137.9
[M]+ 152.08317 131.6
[M]- 152.08427 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