CID 81610002

2-{[(4-methoxybenzyl)(methyl)amino]methyl}-2-methylpropane-1,3-diol

Structural Information

Molecular Formula
C14H23NO3
SMILES
CC(CN(C)CC1=CC=C(C=C1)OC)(CO)CO
InChI
InChI=1S/C14H23NO3/c1-14(10-16,11-17)9-15(2)8-12-4-6-13(18-3)7-5-12/h4-7,16-17H,8-11H2,1-3H3
InChIKey
LGEIPBYULZCRGR-UHFFFAOYSA-N
Compound name
2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-2-methylpropane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.1678 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.17508 160.8
[M+Na]+ 276.15702 165.7
[M-H]- 252.16052 162.7
[M+NH4]+ 271.20162 177.1
[M+K]+ 292.13096 164.2
[M+H-H2O]+ 236.16506 154.5
[M+HCOO]- 298.16600 181.3
[M+CH3COO]- 312.18165 197.2
[M+Na-2H]- 274.14247 165.0
[M]+ 253.16725 163.5
[M]- 253.16835 163.5
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.