CID 3016654

1-(4-methoxyphenyl)propane-1,2-diol

Structural Information

Molecular Formula
C10H14O3
SMILES
CC(C(C1=CC=C(C=C1)OC)O)O
InChI
InChI=1S/C10H14O3/c1-7(11)10(12)8-3-5-9(13-2)6-4-8/h3-7,10-12H,1-2H3
InChIKey
MRDZSBVJWOXBRW-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

16
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 139.3
[M+Na]+ 205.08352 145.7
[M-H]- 181.08702 140.3
[M+NH4]+ 200.12812 157.9
[M+K]+ 221.05746 144.3
[M+H-H2O]+ 165.09156 133.9
[M+HCOO]- 227.09250 159.2
[M+CH3COO]- 241.10815 178.1
[M+Na-2H]- 203.06897 142.7
[M]+ 182.09375 139.2
[M]- 182.09485 139.2
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