CID 3004925

Nsc663576

Structural Information

Molecular Formula
C10H17NS
SMILES
C=CCCC1CCCCNC1=S
InChI
InChI=1S/C10H17NS/c1-2-3-6-9-7-4-5-8-11-10(9)12/h2,9H,1,3-8H2,(H,11,12)
InChIKey
NFFMLHKKXMABGG-UHFFFAOYSA-N
Compound name
3-but-3-enylazepane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.10817 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.11545 138.8
[M+Na]+ 206.09739 141.5
[M-H]- 182.10089 139.7
[M+NH4]+ 201.14199 155.6
[M+K]+ 222.07133 141.8
[M+H-H2O]+ 166.10543 132.7
[M+HCOO]- 228.10637 150.4
[M+CH3COO]- 242.12202 180.7
[M+Na-2H]- 204.08284 138.5
[M]+ 183.10762 131.3
[M]- 183.10872 131.3
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.