CID 29498

1-((4-methylpiperidino)methyl)benzotriazole hydrochloride

Structural Information

Molecular Formula
C13H18N4
SMILES
CC1CCN(CC1)CN2C3=CC=CC=C3N=N2
InChI
InChI=1S/C13H18N4/c1-11-6-8-16(9-7-11)10-17-13-5-3-2-4-12(13)14-15-17/h2-5,11H,6-10H2,1H3
InChIKey
XVKUXOGKVYMCFD-UHFFFAOYSA-N
Compound name
1-[(4-methylpiperidin-1-yl)methyl]benzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.15315 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.16043 153.6
[M+Na]+ 253.14237 167.7
[M+NH4]+ 248.18697 161.9
[M+K]+ 269.11631 161.8
[M-H]- 229.14587 156.3
[M+Na-2H]- 251.12782 160.9
[M]+ 230.15260 156.3
[M]- 230.15370 156.3
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.