CID 3042814

60560-45-4

Structural Information

Molecular Formula
C9H13N3S
SMILES
CC(C)NC(=S)NC1=CC=CC=N1
InChI
InChI=1S/C9H13N3S/c1-7(2)11-9(13)12-8-5-3-4-6-10-8/h3-7H,1-2H3,(H2,10,11,12,13)
InChIKey
VOUIBGCNFWNXSC-UHFFFAOYSA-N
Compound name
1-propan-2-yl-3-pyridin-2-ylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

195.08302 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09030 142.2
[M+Na]+ 218.07224 148.0
[M-H]- 194.07574 144.4
[M+NH4]+ 213.11684 160.1
[M+K]+ 234.04618 145.0
[M+H-H2O]+ 178.08028 135.0
[M+HCOO]- 240.08122 160.2
[M+CH3COO]- 254.09687 187.0
[M+Na-2H]- 216.05769 145.6
[M]+ 195.08247 141.1
[M]- 195.08357 141.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.