CID 29496

1-((3-methylpiperidino)methyl)benzotriazole hydrochloride

Structural Information

Molecular Formula
C13H18N4
SMILES
CC1CCCN(C1)CN2C3=CC=CC=C3N=N2
InChI
InChI=1S/C13H18N4/c1-11-5-4-8-16(9-11)10-17-13-7-3-2-6-12(13)14-15-17/h2-3,6-7,11H,4-5,8-10H2,1H3
InChIKey
UTTHDTVLDARJEP-UHFFFAOYSA-N
Compound name
1-[(3-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]+ 231.160426 154.1
[M+Na]+ 253.142368 162.4
[M-H]- 229.145874 155.9
[M+NH4]+ 248.186973 169.3
[M+K]+ 269.116308 157.7
[M+H-H2O]+ 213.150410 143.7
[M+HCOO]- 275.151351 171.1
[M+CH3COO]- 289.167001 165.1
[M+Na-2H]- 251.127816 159.0
[M]+ 230.15260142 152.2
[M]- 230.15369858 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.