CID 14450262

102791-90-2

Structural Information

Molecular Formula
C9H10N4
SMILES
CC1=C(C=CC(=C1)N2C=NC=N2)N
InChI
InChI=1S/C9H10N4/c1-7-4-8(2-3-9(7)10)13-6-11-5-12-13/h2-6H,10H2,1H3
InChIKey
YOQDUDBMJMEGMN-UHFFFAOYSA-N
Compound name
2-methyl-4-(1,2,4-triazol-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

174.09055 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.097826 136.0
[M+Na]+ 197.079768 145.9
[M-H]- 173.083274 139.1
[M+NH4]+ 192.124373 153.7
[M+K]+ 213.053708 142.4
[M+H-H2O]+ 157.087810 127.3
[M+HCOO]- 219.088751 159.3
[M+CH3COO]- 233.104401 149.4
[M+Na-2H]- 195.065216 142.1
[M]+ 174.09000142 134.8
[M]- 174.09109858 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

patents stripe