CID 6198703

N-cinnamyl-n-(4h-1,2,4-triazol-4-yl)amine

Structural Information

Molecular Formula
C11H12N4
SMILES
C1=CC=C(C=C1)/C=C/CNN2C=NN=C2
InChI
InChI=1S/C11H12N4/c1-2-5-11(6-3-1)7-4-8-14-15-9-12-13-10-15/h1-7,9-10,14H,8H2/b7-4+
InChIKey
PJWLJXPFNLVRQX-QPJJXVBHSA-N
Compound name
N-[(E)-3-phenylprop-2-enyl]-1,2,4-triazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

200.1062 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.113476 143.0
[M+Na]+ 223.095418 150.4
[M-H]- 199.098924 145.4
[M+NH4]+ 218.140023 159.2
[M+K]+ 239.069358 146.3
[M+H-H2O]+ 183.103460 133.3
[M+HCOO]- 245.104401 166.5
[M+CH3COO]- 259.120051 155.1
[M+Na-2H]- 221.080866 150.7
[M]+ 200.10565142 141.9
[M]- 200.10674858 141.9
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

No patent data available for this compound.