CID 9574742

[(z)-nonylideneamino]thiourea

Structural Information

Molecular Formula
C10H21N3S
SMILES
CCCCCCCC/C=N\NC(=S)N
InChI
InChI=1S/C10H21N3S/c1-2-3-4-5-6-7-8-9-12-13-10(11)14/h9H,2-8H2,1H3,(H3,11,13,14)/b12-9-
InChIKey
WQASAVCJXAZJFR-XFXZXTDPSA-N
Compound name
[(Z)-nonylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

215.14561 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.15289 151.5
[M+Na]+ 238.13483 155.3
[M-H]- 214.13833 151.8
[M+NH4]+ 233.17943 170.1
[M+K]+ 254.10877 152.3
[M+H-H2O]+ 198.14287 144.3
[M+HCOO]- 260.14381 171.4
[M+CH3COO]- 274.15946 197.4
[M+Na-2H]- 236.12028 152.2
[M]+ 215.14506 152.4
[M]- 215.14616 152.4
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.