CID 66072999

(3-methoxythiolan-3-yl)methanamine

Structural Information

Molecular Formula
C6H13NOS
SMILES
COC1(CCSC1)CN
InChI
InChI=1S/C6H13NOS/c1-8-6(4-7)2-3-9-5-6/h2-5,7H2,1H3
InChIKey
XLZKGXZHSKZMHI-UHFFFAOYSA-N
Compound name
(3-methoxythiolan-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.0718 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.079076 129.7
[M+Na]+ 170.061018 136.5
[M-H]- 146.064524 132.7
[M+NH4]+ 165.105623 154.7
[M+K]+ 186.034958 135.4
[M+H-H2O]+ 130.069060 125.3
[M+HCOO]- 192.070001 148.3
[M+CH3COO]- 206.085651 172.7
[M+Na-2H]- 168.046466 132.6
[M]+ 147.07125142 128.7
[M]- 147.07234858 128.7
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.