CID 2795420

(1-methyl-1h-1,2,3-benzotriazol-5-yl)methylamine

Structural Information

Molecular Formula
C8H10N4
SMILES
CN1C2=C(C=C(C=C2)CN)N=N1
InChI
InChI=1S/C8H10N4/c1-12-8-3-2-6(5-9)4-7(8)10-11-12/h2-4H,5,9H2,1H3
InChIKey
QPFIBLSSLODPBG-UHFFFAOYSA-N
Compound name
(1-methylbenzotriazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

162.09055 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.097826 132.1
[M+Na]+ 185.079768 143.6
[M-H]- 161.083274 133.2
[M+NH4]+ 180.124373 151.8
[M+K]+ 201.053708 140.1
[M+H-H2O]+ 145.087810 124.4
[M+HCOO]- 207.088751 155.6
[M+CH3COO]- 221.104401 146.1
[M+Na-2H]- 183.065216 140.4
[M]+ 162.09000142 133.3
[M]- 162.09109858 133.3
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