CID 825297

1210522-68-1

Structural Information

Molecular Formula
C9H12N4
SMILES
CN(C)CN1C2=CC=CC=C2N=N1
InChI
InChI=1S/C9H12N4/c1-12(2)7-13-9-6-4-3-5-8(9)10-11-13/h3-6H,7H2,1-2H3
InChIKey
QABYBLFTBSCYHR-UHFFFAOYSA-N
Compound name
1-(benzotriazol-1-yl)-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

176.1062 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.113476 136.0
[M+Na]+ 199.095418 146.1
[M-H]- 175.098924 138.5
[M+NH4]+ 194.140023 155.7
[M+K]+ 215.069358 144.3
[M+H-H2O]+ 159.103460 127.5
[M+HCOO]- 221.104401 160.3
[M+CH3COO]- 235.120051 150.0
[M+Na-2H]- 197.080866 144.8
[M]+ 176.10565142 139.4
[M]- 176.10674858 139.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe