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]+ 176.11037 137.5
[M+Na]+ 198.09231 142.3
[M-H]- 174.09581 139.7
[M+NH4]+ 193.13691 159.4
[M+K]+ 214.06625 140.7
[M+H-H2O]+ 158.10035 132.4
[M+HCOO]- 220.10129 153.3
[M+CH3COO]- 234.11694 179.0
[M+Na-2H]- 196.07776 140.7
[M]+ 175.10254 135.0
[M]- 175.10364 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.