CID 3052733

69226-80-8

Structural Information

Molecular Formula
C7H8N4S
SMILES
C1=CSC(=C1)CC2=NC(=NN2)N
InChI
InChI=1S/C7H8N4S/c8-7-9-6(10-11-7)4-5-2-1-3-12-5/h1-3H,4H2,(H3,8,9,10,11)
InChIKey
QCQOEECZTCFAEI-UHFFFAOYSA-N
Compound name
5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

180.04697 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.05425 134.5
[M+Na]+ 203.03619 145.8
[M+NH4]+ 198.08079 142.5
[M+K]+ 219.01013 142.1
[M-H]- 179.03969 136.5
[M+Na-2H]- 201.02164 141.3
[M]+ 180.04642 136.9
[M]- 180.04752 136.9
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