CID 12376019

Cyclopentanethiocyanate

Structural Information

Molecular Formula
C6H9NS
SMILES
C1CCC(C1)SC#N
InChI
InChI=1S/C6H9NS/c7-5-8-6-3-1-2-4-6/h6H,1-4H2
InChIKey
ZTZNTHBAUFZQGQ-UHFFFAOYSA-N
Compound name
cyclopentyl thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.04557 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.05285 128.6
[M+Na]+ 150.03479 138.5
[M-H]- 126.03829 132.7
[M+NH4]+ 145.07939 151.0
[M+K]+ 166.00873 136.2
[M+H-H2O]+ 110.04283 117.3
[M+HCOO]- 172.04377 143.7
[M+CH3COO]- 186.05942 182.0
[M+Na-2H]- 148.02024 130.9
[M]+ 127.04502 123.2
[M]- 127.04612 123.2
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