CID 197291

1,3-propanediol, 2-methyl-2-((2-naphthalenylmethyl)amino)-, hydrochloride

Structural Information

Molecular Formula
C15H19NO2
SMILES
CC(CO)(CO)NCC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C15H19NO2/c1-15(10-17,11-18)16-9-12-6-7-13-4-2-3-5-14(13)8-12/h2-8,16-18H,9-11H2,1H3
InChIKey
VTQUEUJARTXWCT-UHFFFAOYSA-N
Compound name
2-methyl-2-(naphthalen-2-ylmethylamino)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

245.14159 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.14887 156.4
[M+Na]+ 268.13081 162.2
[M-H]- 244.13431 157.8
[M+NH4]+ 263.17541 173.3
[M+K]+ 284.10475 157.8
[M+H-H2O]+ 228.13885 150.4
[M+HCOO]- 290.13979 175.7
[M+CH3COO]- 304.15544 192.3
[M+Na-2H]- 266.11626 164.2
[M]+ 245.14104 155.6
[M]- 245.14214 155.6
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.