CID 31236

2-phenoxyethanol

Structural Information

Molecular Formula
C8H10O2
SMILES
C1=CC=C(C=C1)OCCO
InChI
InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey
QCDWFXQBSFUVSP-UHFFFAOYSA-N
Compound name
2-phenoxyethanol
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

334
References

74131
Patents

138.06808 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.07536 126.2
[M+Na]+ 161.05730 133.6
[M-H]- 137.06080 128.5
[M+NH4]+ 156.10190 147.2
[M+K]+ 177.03124 132.1
[M+H-H2O]+ 121.06534 120.9
[M+HCOO]- 183.06628 150.1
[M+CH3COO]- 197.08193 169.7
[M+Na-2H]- 159.04275 134.5
[M]+ 138.06753 126.8
[M]- 138.06863 126.8
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