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]+ 148.07908 129.7
[M+Na]+ 170.06102 136.5
[M-H]- 146.06452 132.7
[M+NH4]+ 165.10562 154.7
[M+K]+ 186.03496 135.4
[M+H-H2O]+ 130.06906 125.3
[M+HCOO]- 192.07000 148.3
[M+CH3COO]- 206.08565 172.7
[M+Na-2H]- 168.04647 132.6
[M]+ 147.07125 128.7
[M]- 147.07235 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.