CID 1549591

1-allyl-3-(pyridin-2-yl)thiourea

Structural Information

Molecular Formula
C9H11N3S
SMILES
C=CCNC(=S)NC1=CC=CC=N1
InChI
InChI=1S/C9H11N3S/c1-2-6-11-9(13)12-8-5-3-4-7-10-8/h2-5,7H,1,6H2,(H2,10,11,12,13)
InChIKey
DYFDSHKKGBOHSZ-UHFFFAOYSA-N
Compound name
1-prop-2-enyl-3-pyridin-2-ylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

41
Patents

193.06737 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.07465 140.7
[M+Na]+ 216.05659 147.2
[M-H]- 192.06009 142.8
[M+NH4]+ 211.10119 158.7
[M+K]+ 232.03053 143.0
[M+H-H2O]+ 176.06463 133.5
[M+HCOO]- 238.06557 160.0
[M+CH3COO]- 252.08122 185.2
[M+Na-2H]- 214.04204 145.3
[M]+ 193.06682 139.5
[M]- 193.06792 139.5
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

patents stripe