CID 82222448

2490404-40-3

Structural Information

Molecular Formula
C9H10N4
SMILES
CC1=CN=NN1C2=CC=CC(=C2)N
InChI
InChI=1S/C9H10N4/c1-7-6-11-12-13(7)9-4-2-3-8(10)5-9/h2-6H,10H2,1H3
InChIKey
OJWYTZPTUFMHRU-UHFFFAOYSA-N
Compound name
3-(5-methyltriazol-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.09055 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.09783 136.0
[M+Na]+ 197.07977 145.9
[M-H]- 173.08327 139.1
[M+NH4]+ 192.12437 153.7
[M+K]+ 213.05371 142.4
[M+H-H2O]+ 157.08781 127.3
[M+HCOO]- 219.08875 159.3
[M+CH3COO]- 233.10440 149.4
[M+Na-2H]- 195.06522 142.1
[M]+ 174.09000 134.8
[M]- 174.09110 134.8
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.