CID 118970

2-(furfurylthio)ethylamine

Structural Information

Molecular Formula
C7H11NOS
SMILES
C1=COC(=C1)CSCCN
InChI
InChI=1S/C7H11NOS/c8-3-5-10-6-7-2-1-4-9-7/h1-2,4H,3,5-6,8H2
InChIKey
VSPDYEHKAMKDNW-UHFFFAOYSA-N
Compound name
2-(furan-2-ylmethylsulfanyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

207
Patents

157.05614 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.06342 131.5
[M+Na]+ 180.04536 139.3
[M-H]- 156.04886 135.5
[M+NH4]+ 175.08996 153.1
[M+K]+ 196.01930 138.2
[M+H-H2O]+ 140.05340 126.0
[M+HCOO]- 202.05434 151.9
[M+CH3COO]- 216.06999 175.3
[M+Na-2H]- 178.03081 135.2
[M]+ 157.05559 133.8
[M]- 157.05669 133.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe