CID 53648725

Dtxsid60705660

Structural Information

Molecular Formula
C9H12N4
SMILES
CN(C)CC1=CC=CC2=NNN=C21
InChI
InChI=1S/C9H12N4/c1-13(2)6-7-4-3-5-8-9(7)11-12-10-8/h3-5H,6H2,1-2H3,(H,10,11,12)
InChIKey
ALDULCLMMQLMIO-UHFFFAOYSA-N
Compound name
1-(2H-benzotriazol-4-yl)-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

176.1062 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.11348 136.4
[M+Na]+ 199.09542 146.2
[M-H]- 175.09892 137.6
[M+NH4]+ 194.14002 155.4
[M+K]+ 215.06936 143.4
[M+H-H2O]+ 159.10346 128.3
[M+HCOO]- 221.10440 159.2
[M+CH3COO]- 235.12005 149.8
[M+Na-2H]- 197.08087 144.8
[M]+ 176.10565 138.0
[M]- 176.10675 138.0
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.