CID 59269

102274-22-6

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]+ 148.090296 130.8
[M+Na]+ 170.072238 135.8
[M-H]- 146.075744 129.9
[M+NH4]+ 165.116843 150.9
[M+K]+ 186.046178 133.4
[M+H-H2O]+ 130.080280 124.6
[M+HCOO]- 192.081221 149.9
[M+CH3COO]- 206.096871 180.6
[M+Na-2H]- 168.057686 132.4
[M]+ 147.08247142 127.6
[M]- 147.08356858 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.