CID 66070511

(3-ethoxythian-3-yl)methanamine

Structural Information

Molecular Formula
C8H17NOS
SMILES
CCOC1(CCCSC1)CN
InChI
InChI=1S/C8H17NOS/c1-2-10-8(6-9)4-3-5-11-7-8/h2-7,9H2,1H3
InChIKey
YFOXSJZNISVHHY-UHFFFAOYSA-N
Compound name
(3-ethoxythian-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.10309 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.110366 137.5
[M+Na]+ 198.092308 142.3
[M-H]- 174.095814 139.7
[M+NH4]+ 193.136913 159.4
[M+K]+ 214.066248 140.7
[M+H-H2O]+ 158.100350 132.4
[M+HCOO]- 220.101291 153.3
[M+CH3COO]- 234.116941 179.0
[M+Na-2H]- 196.077756 140.7
[M]+ 175.10254142 135.0
[M]- 175.10363858 135.0
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.