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

3
Patents

116.04082 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.048096 123.1
[M+Na]+ 139.030038 132.3
[M-H]- 115.033544 124.4
[M+NH4]+ 134.074643 143.7
[M+K]+ 155.003978 131.6
[M+H-H2O]+ 99.038080 112.0
[M+HCOO]- 161.039021 139.2
[M+CH3COO]- 175.054671 183.8
[M+Na-2H]- 137.015486 127.0
[M]+ 116.04027142 119.1
[M]- 116.04136858 119.1
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