CID 113964

63679-72-1

Structural Information

Molecular Formula
C6H13N3O2S
SMILES
C(CC(N)OC=O)CSC(=N)N
InChI
InChI=1S/C6H13N3O2S/c7-5(11-4-10)2-1-3-12-6(8)9/h4-5H,1-3,7H2,(H3,8,9)
InChIKey
XCOLSEZPSQTQAF-UHFFFAOYSA-N
Compound name
(1-amino-4-carbamimidoylsulfanylbutyl) formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.07285 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.08013 141.8
[M+Na]+ 214.06207 146.5
[M+NH4]+ 209.10667 147.5
[M+K]+ 230.03601 141.9
[M-H]- 190.06557 140.7
[M+Na-2H]- 212.04752 142.3
[M]+ 191.07230 141.9
[M]- 191.07340 141.9
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.