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 154.1
[M+Na]+ 253.14237 162.4
[M-H]- 229.14587 155.9
[M+NH4]+ 248.18697 169.3
[M+K]+ 269.11631 157.7
[M+H-H2O]+ 213.15041 143.7
[M+HCOO]- 275.15135 171.1
[M+CH3COO]- 289.16700 165.1
[M+Na-2H]- 251.12782 159.0
[M]+ 230.15260 152.2
[M]- 230.15370 152.2
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.