CID 85173

2-methyl-3-phenoxypropane-1,2-diol

Structural Information

Molecular Formula
C10H14O3
SMILES
CC(CO)(COC1=CC=CC=C1)O
InChI
InChI=1S/C10H14O3/c1-10(12,7-11)8-13-9-5-3-2-4-6-9/h2-6,11-12H,7-8H2,1H3
InChIKey
FDXOWEXWCPILKM-UHFFFAOYSA-N
Compound name
2-methyl-3-phenoxypropane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

182.0943 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 139.5
[M+Na]+ 205.08352 145.9
[M-H]- 181.08702 140.3
[M+NH4]+ 200.12812 158.0
[M+K]+ 221.05746 143.9
[M+H-H2O]+ 165.09156 134.3
[M+HCOO]- 227.09250 159.8
[M+CH3COO]- 241.10815 175.5
[M+Na-2H]- 203.06897 146.9
[M]+ 182.09375 139.8
[M]- 182.09485 139.8
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

patents stripe