CID 89244097

Azecane-2-thione

Structural Information

Molecular Formula
C9H17NS
SMILES
C1CCCCNC(=S)CCC1
InChI
InChI=1S/C9H17NS/c11-9-7-5-3-1-2-4-6-8-10-9/h1-8H2,(H,10,11)
InChIKey
IZPIHMYHNKFCMQ-UHFFFAOYSA-N
Compound name
azecane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

171.10817 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.115446 136.5
[M+Na]+ 194.097388 140.5
[M-H]- 170.100894 133.7
[M+NH4]+ 189.141993 152.5
[M+K]+ 210.071328 138.3
[M+H-H2O]+ 154.105430 133.5
[M+HCOO]- 216.106371 147.2
[M+CH3COO]- 230.122021 169.8
[M+Na-2H]- 192.082836 136.7
[M]+ 171.10762142 126.6
[M]- 171.10871858 126.6
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

patents stripe