CID 3340577

3-(2-methylbenzyloxy)-1,2-propanediol

Structural Information

Molecular Formula
C11H16O3
SMILES
CC1=CC=CC=C1COCC(CO)O
InChI
InChI=1S/C11H16O3/c1-9-4-2-3-5-10(9)7-14-8-11(13)6-12/h2-5,11-13H,6-8H2,1H3
InChIKey
PYDFXJCTDLAHDG-UHFFFAOYSA-N
Compound name
3-[(2-methylphenyl)methoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

196.10994 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.11722 143.5
[M+Na]+ 219.09916 154.6
[M+NH4]+ 214.14376 150.9
[M+K]+ 235.07310 149.2
[M-H]- 195.10266 144.1
[M+Na-2H]- 217.08461 148.6
[M]+ 196.10939 145.1
[M]- 196.11049 145.1
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