CID 44145558

Einecs 286-640-3

Structural Information

Molecular Formula
C8H13N3OS
SMILES
C1=COC(=C1)CSCCN=C(N)N
InChI
InChI=1S/C8H13N3OS/c9-8(10)11-3-5-13-6-7-2-1-4-12-7/h1-2,4H,3,5-6H2,(H4,9,10,11)
InChIKey
LWAUAHYFFWAZLJ-UHFFFAOYSA-N
Compound name
2-[2-(furan-2-ylmethylsulfanyl)ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

199.07793 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.085206 143.4
[M+Na]+ 222.067148 149.3
[M-H]- 198.070654 147.9
[M+NH4]+ 217.111753 162.7
[M+K]+ 238.041088 147.9
[M+H-H2O]+ 182.075190 136.2
[M+HCOO]- 244.076131 165.2
[M+CH3COO]- 258.091781 189.5
[M+Na-2H]- 220.052596 145.8
[M]+ 199.07738142 143.8
[M]- 199.07847858 143.8
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

patents stripe