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]+ 254.175076 160.8
[M+Na]+ 276.157018 165.7
[M-H]- 252.160524 162.7
[M+NH4]+ 271.201623 177.1
[M+K]+ 292.130958 164.2
[M+H-H2O]+ 236.165060 154.5
[M+HCOO]- 298.166001 181.3
[M+CH3COO]- 312.181651 197.2
[M+Na-2H]- 274.142466 165.0
[M]+ 253.16725142 163.5
[M]- 253.16834858 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.