CID 94901

Heptyl thiocyanate

Structural Information

Molecular Formula
C8H15NS
SMILES
CCCCCCCSC#N
InChI
InChI=1S/C8H15NS/c1-2-3-4-5-6-7-10-8-9/h2-7H2,1H3
InChIKey
MAYXOEYPLLPIBN-UHFFFAOYSA-N
Compound name
heptyl thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

157.09251 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.09979 130.3
[M+Na]+ 180.08173 140.3
[M+NH4]+ 175.12633 135.8
[M+K]+ 196.05567 129.1
[M-H]- 156.08523 124.0
[M+Na-2H]- 178.06718 132.1
[M]+ 157.09196 129.5
[M]- 157.09306 129.5
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