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]+ 162.094706 133.3
[M+Na]+ 184.076648 138.4
[M-H]- 160.080154 135.7
[M+NH4]+ 179.121253 155.7
[M+K]+ 200.050588 137.0
[M+H-H2O]+ 144.084690 128.3
[M+HCOO]- 206.085631 149.3
[M+CH3COO]- 220.101281 175.9
[M+Na-2H]- 182.062096 136.9
[M]+ 161.08688142 130.3
[M]- 161.08797858 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.