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 141.0
[M+Na]+ 214.06207 145.3
[M-H]- 190.06557 139.8
[M+NH4]+ 209.10667 159.0
[M+K]+ 230.03601 143.4
[M+H-H2O]+ 174.07011 134.2
[M+HCOO]- 236.07105 159.4
[M+CH3COO]- 250.08670 187.9
[M+Na-2H]- 212.04752 141.1
[M]+ 191.07230 139.6
[M]- 191.07340 139.6
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.