CID 5719399

Blt-1

Structural Information

Molecular Formula
C12H23N3S
SMILES
CCCCCCC\1CCC/C1=N/NC(=S)N
InChI
InChI=1S/C12H23N3S/c1-2-3-4-5-7-10-8-6-9-11(10)14-15-12(13)16/h10H,2-9H2,1H3,(H3,13,15,16)/b14-11-
InChIKey
OWGUSBISUVLUJF-KAMYIIQDSA-N
Compound name
[(Z)-(2-hexylcyclopentylidene)amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

0
Patents

241.16127 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.16855 158.8
[M+Na]+ 264.15049 162.1
[M-H]- 240.15399 162.0
[M+NH4]+ 259.19509 178.1
[M+K]+ 280.12443 158.8
[M+H-H2O]+ 224.15853 151.4
[M+HCOO]- 286.15947 177.7
[M+CH3COO]- 300.17512 200.6
[M+Na-2H]- 262.13594 156.9
[M]+ 241.16072 156.5
[M]- 241.16182 156.5
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

No patent data available for this compound.