CID 108434

60278-98-0

Structural Information

Molecular Formula
C11H17NO2
SMILES
CN(CC1=CC=CC=C1)CC(CO)O
InChI
InChI=1S/C11H17NO2/c1-12(8-11(14)9-13)7-10-5-3-2-4-6-10/h2-6,11,13-14H,7-9H2,1H3
InChIKey
HGPHYOVGIFFHJB-UHFFFAOYSA-N
Compound name
3-[benzyl(methyl)amino]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

292
Patents

195.12593 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.133206 145.1
[M+Na]+ 218.115148 149.7
[M-H]- 194.118654 146.9
[M+NH4]+ 213.159753 163.3
[M+K]+ 234.089088 148.4
[M+H-H2O]+ 178.123190 138.7
[M+HCOO]- 240.124131 167.0
[M+CH3COO]- 254.139781 185.4
[M+Na-2H]- 216.100596 149.4
[M]+ 195.12538142 144.7
[M]- 195.12647858 144.7
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