CID 59269

Carbamimidothioic acid, 3-aminobutyl ester, dihydrobromide

Structural Information

Molecular Formula
C5H13N3S
SMILES
C(CCSC(=N)N)CN
InChI
InChI=1S/C5H13N3S/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H3,7,8)
InChIKey
PKDIQRBEKZCRHY-UHFFFAOYSA-N
Compound name
4-aminobutyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.08302 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.09030 131.2
[M+Na]+ 170.07224 137.3
[M+NH4]+ 165.11684 138.6
[M+K]+ 186.04618 131.2
[M-H]- 146.07574 131.8
[M+Na-2H]- 168.05769 133.3
[M]+ 147.08247 132.1
[M]- 147.08357 132.1
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

No patent data available for this compound.