CID 24701192

1016794-97-0

Structural Information

Molecular Formula
C9H10N4
SMILES
C1=CC=C(C=C1)N2C=NN=C2CN
InChI
InChI=1S/C9H10N4/c10-6-9-12-11-7-13(9)8-4-2-1-3-5-8/h1-5,7H,6,10H2
InChIKey
CTECDWWQYWVAQO-UHFFFAOYSA-N
Compound name
(4-phenyl-1,2,4-triazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

174.09055 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.09783 135.4
[M+Na]+ 197.07977 144.3
[M-H]- 173.08327 138.1
[M+NH4]+ 192.12437 152.8
[M+K]+ 213.05371 140.9
[M+H-H2O]+ 157.08781 126.4
[M+HCOO]- 219.08875 158.7
[M+CH3COO]- 233.10440 148.4
[M+Na-2H]- 195.06522 142.4
[M]+ 174.09000 133.8
[M]- 174.09110 133.8
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