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]+ 195.069896 138.7
[M+Na]+ 217.051838 149.2
[M-H]- 193.055344 141.6
[M+NH4]+ 212.096443 157.5
[M+K]+ 233.025778 145.5
[M+H-H2O]+ 177.059880 131.4
[M+HCOO]- 239.060821 157.3
[M+CH3COO]- 253.076471 151.9
[M+Na-2H]- 215.037286 139.6
[M]+ 194.06207142 139.2
[M]- 194.06316858 139.2
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.