CID 825297

57684-30-7

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

117
Patents

176.1062 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.11348 136.0
[M+Na]+ 199.09542 146.1
[M-H]- 175.09892 138.5
[M+NH4]+ 194.14002 155.7
[M+K]+ 215.06936 144.3
[M+H-H2O]+ 159.10346 127.5
[M+HCOO]- 221.10440 160.3
[M+CH3COO]- 235.12005 150.0
[M+Na-2H]- 197.08087 144.8
[M]+ 176.10565 139.4
[M]- 176.10675 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