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]+ 246.148866 156.4
[M+Na]+ 268.130808 162.2
[M-H]- 244.134314 157.8
[M+NH4]+ 263.175413 173.3
[M+K]+ 284.104748 157.8
[M+H-H2O]+ 228.138850 150.4
[M+HCOO]- 290.139791 175.7
[M+CH3COO]- 304.155441 192.3
[M+Na-2H]- 266.116256 164.2
[M]+ 245.14104142 155.6
[M]- 245.14213858 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.