CID 62734153

2241128-77-6

Structural Information

Molecular Formula
C8H10N4S
SMILES
CC(C1=NC(=NN1)C2=CC=CS2)N
InChI
InChI=1S/C8H10N4S/c1-5(9)7-10-8(12-11-7)6-3-2-4-13-6/h2-5H,9H2,1H3,(H,10,11,12)
InChIKey
AVSNPKFQASEHNB-UHFFFAOYSA-N
Compound name
1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.06262 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06990 139.0
[M+Na]+ 217.05184 149.7
[M+NH4]+ 212.09644 146.7
[M+K]+ 233.02578 146.5
[M-H]- 193.05534 140.7
[M+Na-2H]- 215.03729 145.2
[M]+ 194.06207 141.2
[M]- 194.06317 141.2
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

No patent data available for this compound.