CID 55288867

[(3-aminopropyl)sulfanyl]carbonitrile hydrobromide

Structural Information

Molecular Formula
C4H8N2S
SMILES
C(CN)CSC#N
InChI
InChI=1S/C4H8N2S/c5-2-1-3-7-4-6/h1-3,5H2
InChIKey
WNRFUMOSXLKUHG-UHFFFAOYSA-N
Compound name
3-aminopropyl thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

116.04082 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.04810 119.7
[M+Na]+ 139.03004 128.8
[M+NH4]+ 134.07464 125.1
[M+K]+ 155.00398 119.0
[M-H]- 115.03354 113.4
[M+Na-2H]- 137.01549 121.5
[M]+ 116.04027 118.6
[M]- 116.04137 118.6
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

No patent data available for this compound.