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 138.7
[M+Na]+ 217.05184 149.2
[M-H]- 193.05534 141.6
[M+NH4]+ 212.09644 157.5
[M+K]+ 233.02578 145.5
[M+H-H2O]+ 177.05988 131.4
[M+HCOO]- 239.06082 157.3
[M+CH3COO]- 253.07647 151.9
[M+Na-2H]- 215.03729 139.6
[M]+ 194.06207 139.2
[M]- 194.06317 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.