CID 457296

N-(2-thienylmethyl)-4h-1,2,4-triazol-4-amine

Structural Information

Molecular Formula
C7H8N4S
SMILES
C1=CSC(=C1)CNN2C=NN=C2
InChI
InChI=1S/C7H8N4S/c1-2-7(12-3-1)4-10-11-5-8-9-6-11/h1-3,5-6,10H,4H2
InChIKey
WWXCIWIBSPJJHN-UHFFFAOYSA-N
Compound name
N-(thiophen-2-ylmethyl)-1,2,4-triazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

180.04697 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.05425 132.7
[M+Na]+ 203.03619 143.6
[M-H]- 179.03969 137.0
[M+NH4]+ 198.08079 152.8
[M+K]+ 219.01013 141.0
[M+H-H2O]+ 163.04423 124.9
[M+HCOO]- 225.04517 154.8
[M+CH3COO]- 239.06082 147.0
[M+Na-2H]- 201.02164 137.2
[M]+ 180.04642 135.8
[M]- 180.04752 135.8
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

No patent data available for this compound.