CID 13031172

84292-45-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
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 136.1
[M+Na]+ 197.07977 149.5
[M+NH4]+ 192.12437 144.1
[M+K]+ 213.05371 145.2
[M-H]- 173.08327 139.0
[M+Na-2H]- 195.06522 144.7
[M]+ 174.09000 138.7
[M]- 174.09110 138.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe