CID 2829394

(cyclohexylideneamino)thiourea

Structural Information

Molecular Formula
C7H13N3S
SMILES
C1CCC(=NNC(=S)N)CC1
InChI
InChI=1S/C7H13N3S/c8-7(11)10-9-6-4-2-1-3-5-6/h1-5H2,(H3,8,10,11)
InChIKey
GYRDZVHNPFBIST-UHFFFAOYSA-N
Compound name
(cyclohexylideneamino)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

40
Patents

171.08302 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09030 135.5
[M+Na]+ 194.07224 139.1
[M-H]- 170.07574 139.0
[M+NH4]+ 189.11684 155.4
[M+K]+ 210.04618 136.8
[M+H-H2O]+ 154.08028 128.8
[M+HCOO]- 216.08122 154.0
[M+CH3COO]- 230.09687 184.6
[M+Na-2H]- 192.05769 138.0
[M]+ 171.08247 128.9
[M]- 171.08357 128.9
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