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]+ 172.11545 136.5
[M+Na]+ 194.09739 140.5
[M-H]- 170.10089 133.7
[M+NH4]+ 189.14199 152.5
[M+K]+ 210.07133 138.3
[M+H-H2O]+ 154.10543 133.5
[M+HCOO]- 216.10637 147.2
[M+CH3COO]- 230.12202 169.8
[M+Na-2H]- 192.08284 136.7
[M]+ 171.10762 126.6
[M]- 171.10872 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