CID 66070934

(3-methoxythian-3-yl)methanamine

Structural Information

Molecular Formula
C7H15NOS
SMILES
COC1(CCCSC1)CN
InChI
InChI=1S/C7H15NOS/c1-9-7(5-8)3-2-4-10-6-7/h2-6,8H2,1H3
InChIKey
SXWTUZPASNBBMH-UHFFFAOYSA-N
Compound name
(3-methoxythian-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.08743 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09471 133.3
[M+Na]+ 184.07665 138.4
[M-H]- 160.08015 135.7
[M+NH4]+ 179.12125 155.7
[M+K]+ 200.05059 137.0
[M+H-H2O]+ 144.08469 128.3
[M+HCOO]- 206.08563 149.3
[M+CH3COO]- 220.10128 175.9
[M+Na-2H]- 182.06210 136.9
[M]+ 161.08688 130.3
[M]- 161.08798 130.3
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.