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 130.8
[M+Na]+ 170.07224 135.8
[M-H]- 146.07574 129.9
[M+NH4]+ 165.11684 150.9
[M+K]+ 186.04618 133.4
[M+H-H2O]+ 130.08028 124.6
[M+HCOO]- 192.08122 149.9
[M+CH3COO]- 206.09687 180.6
[M+Na-2H]- 168.05769 132.4
[M]+ 147.08247 127.6
[M]- 147.08357 127.6
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.