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]+ 163.097826 131.5
[M+Na]+ 185.079768 141.6
[M-H]- 161.083274 131.3
[M+NH4]+ 180.124373 150.4
[M+K]+ 201.053708 137.6
[M+H-H2O]+ 145.087810 123.7
[M+HCOO]- 207.088751 154.1
[M+CH3COO]- 221.104401 144.7
[M+Na-2H]- 183.065216 141.2
[M]+ 162.09000142 131.5
[M]- 162.09109858 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.