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

64
Patents

176.1062 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.113476 136.4
[M+Na]+ 199.095418 146.2
[M-H]- 175.098924 137.6
[M+NH4]+ 194.140023 155.4
[M+K]+ 215.069358 143.4
[M+H-H2O]+ 159.103460 128.3
[M+HCOO]- 221.104401 159.2
[M+CH3COO]- 235.120051 149.8
[M+Na-2H]- 197.080866 144.8
[M]+ 176.10565142 138.0
[M]- 176.10674858 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

patents stripe