CID 12722497

3-amino-1-[2-(pyridin-2-yl)ethyl]thiourea

Structural Information

Molecular Formula
C8H12N4S
SMILES
C1=CC=NC(=C1)CCNC(=S)NN
InChI
InChI=1S/C8H12N4S/c9-12-8(13)11-6-4-7-3-1-2-5-10-7/h1-3,5H,4,6,9H2,(H2,11,12,13)
InChIKey
UHPMTSNQAFFPSP-UHFFFAOYSA-N
Compound name
1-amino-3-(2-pyridin-2-ylethyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

196.07826 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08554 140.0
[M+Na]+ 219.06748 145.7
[M-H]- 195.07098 141.6
[M+NH4]+ 214.11208 157.3
[M+K]+ 235.04142 141.9
[M+H-H2O]+ 179.07552 132.4
[M+HCOO]- 241.07646 159.7
[M+CH3COO]- 255.09211 187.5
[M+Na-2H]- 217.05293 144.7
[M]+ 196.07771 137.4
[M]- 196.07881 137.4
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