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]+ 201.11348 143.0
[M+Na]+ 223.09542 150.4
[M-H]- 199.09892 145.4
[M+NH4]+ 218.14002 159.2
[M+K]+ 239.06936 146.3
[M+H-H2O]+ 183.10346 133.3
[M+HCOO]- 245.10440 166.5
[M+CH3COO]- 259.12005 155.1
[M+Na-2H]- 221.08087 150.7
[M]+ 200.10565 141.9
[M]- 200.10675 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.