CID 61361011

2219380-05-7

Structural Information

Molecular Formula
C9H10N4
SMILES
C1=CC(=CC=C1CN)C2=NC=NN2
InChI
InChI=1S/C9H10N4/c10-5-7-1-3-8(4-2-7)9-11-6-12-13-9/h1-4,6H,5,10H2,(H,11,12,13)
InChIKey
OSHIEGUUJIKTHR-UHFFFAOYSA-N
Compound name
[4-(1H-1,2,4-triazol-5-yl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

174.09055 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.09783 136.4
[M+Na]+ 197.07977 148.9
[M+NH4]+ 192.12437 144.0
[M+K]+ 213.05371 144.6
[M-H]- 173.08327 138.7
[M+Na-2H]- 195.06522 144.6
[M]+ 174.09000 138.6
[M]- 174.09110 138.6
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