CID 80319

3-phenoxy-1-propanol

Structural Information

Molecular Formula
C9H12O2
SMILES
C1=CC=C(C=C1)OCCCO
InChI
InChI=1S/C9H12O2/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
InChIKey
AWVDYRFLCAZENH-UHFFFAOYSA-N
Compound name
3-phenoxypropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

7999
Patents

152.08372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.09100 130.9
[M+Na]+ 175.07294 137.8
[M-H]- 151.07644 133.0
[M+NH4]+ 170.11754 151.3
[M+K]+ 191.04688 136.1
[M+H-H2O]+ 135.08098 125.3
[M+HCOO]- 197.08192 154.4
[M+CH3COO]- 211.09757 172.7
[M+Na-2H]- 173.05839 138.7
[M]+ 152.08317 131.8
[M]- 152.08427 131.8
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.