CID 43179163

1021130-21-1

Structural Information

Molecular Formula
C9H17NOS
SMILES
C1CC(OC1)CNC2CCSC2
InChI
InChI=1S/C9H17NOS/c1-2-9(11-4-1)6-10-8-3-5-12-7-8/h8-10H,1-7H2
InChIKey
HUSJZIRGWUBMFU-UHFFFAOYSA-N
Compound name
N-(oxolan-2-ylmethyl)thiolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.10309 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.110366 142.4
[M+Na]+ 210.092308 146.8
[M-H]- 186.095814 148.9
[M+NH4]+ 205.136913 164.2
[M+K]+ 226.066248 146.4
[M+H-H2O]+ 170.100350 137.0
[M+HCOO]- 232.101291 159.6
[M+CH3COO]- 246.116941 179.4
[M+Na-2H]- 208.077756 142.5
[M]+ 187.10254142 139.5
[M]- 187.10363858 139.5
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.