CID 5354105

Enanthaldehyde, thiosemicarbazone

Structural Information

Molecular Formula
C8H17N3S
SMILES
CCCCCC/C=N/NC(=S)N
InChI
InChI=1S/C8H17N3S/c1-2-3-4-5-6-7-10-11-8(9)12/h7H,2-6H2,1H3,(H3,9,11,12)/b10-7+
InChIKey
IYQJJMCEAOEWJO-JXMROGBWSA-N
Compound name
[(E)-heptylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.11432 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.12160 144.3
[M+Na]+ 210.10354 150.7
[M+NH4]+ 205.14814 151.5
[M+K]+ 226.07748 143.2
[M-H]- 186.10704 145.2
[M+Na-2H]- 208.08899 146.6
[M]+ 187.11377 145.4
[M]- 187.11487 145.4
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.