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

6
Patents

196.07826 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.085536 140.0
[M+Na]+ 219.067478 145.7
[M-H]- 195.070984 141.6
[M+NH4]+ 214.112083 157.3
[M+K]+ 235.041418 141.9
[M+H-H2O]+ 179.075520 132.4
[M+HCOO]- 241.076461 159.7
[M+CH3COO]- 255.092111 187.5
[M+Na-2H]- 217.052926 144.7
[M]+ 196.07771142 137.4
[M]- 196.07880858 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