CID 63322119

1340144-38-8

Structural Information

Molecular Formula
C8H10N4
SMILES
CNCC1=CC2=NNN=C2C=C1
InChI
InChI=1S/C8H10N4/c1-9-5-6-2-3-7-8(4-6)11-12-10-7/h2-4,9H,5H2,1H3,(H,10,11,12)
InChIKey
NFSSTNVBEQLFQH-UHFFFAOYSA-N
Compound name
1-(2H-benzotriazol-5-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.09055 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.09783 131.5
[M+Na]+ 185.07977 141.6
[M-H]- 161.08327 131.3
[M+NH4]+ 180.12437 150.4
[M+K]+ 201.05371 137.6
[M+H-H2O]+ 145.08781 123.7
[M+HCOO]- 207.08875 154.1
[M+CH3COO]- 221.10440 144.7
[M+Na-2H]- 183.06522 141.2
[M]+ 162.09000 131.5
[M]- 162.09110 131.5
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.