CID 3056821

73840-16-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

195.08302 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09030 141.4
[M+Na]+ 218.07224 147.6
[M-H]- 194.07574 143.5
[M+NH4]+ 213.11684 159.5
[M+K]+ 234.04618 144.1
[M+H-H2O]+ 178.08028 134.1
[M+HCOO]- 240.08122 160.5
[M+CH3COO]- 254.09687 186.1
[M+Na-2H]- 216.05769 146.0
[M]+ 195.08247 140.9
[M]- 195.08357 140.9
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