CID 39870501

2-(3-methyl-1h-1,2,4-triazol-5-yl)aniline

Structural Information

Molecular Formula
C9H10N4
SMILES
CC1=NC(=NN1)C2=CC=CC=C2N
InChI
InChI=1S/C9H10N4/c1-6-11-9(13-12-6)7-4-2-3-5-8(7)10/h2-5H,10H2,1H3,(H,11,12,13)
InChIKey
MIFKRUNSFYRBSB-UHFFFAOYSA-N
Compound name
2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

174.09055 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.097826 136.5
[M+Na]+ 197.079768 146.0
[M-H]- 173.083274 138.3
[M+NH4]+ 192.124373 153.5
[M+K]+ 213.053708 141.6
[M+H-H2O]+ 157.087810 128.1
[M+HCOO]- 219.088751 158.4
[M+CH3COO]- 233.104401 149.2
[M+Na-2H]- 195.065216 142.2
[M]+ 174.09000142 133.5
[M]- 174.09109858 133.5
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