CID 79902582

(1,4-oxathian-2-yl)methanamine

Structural Information

Molecular Formula
C5H11NOS
SMILES
C1CSCC(O1)CN
InChI
InChI=1S/C5H11NOS/c6-3-5-4-8-2-1-7-5/h5H,1-4,6H2
InChIKey
GTUMXYMHHOGGGS-UHFFFAOYSA-N
Compound name
1,4-oxathian-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

133.05614 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.06342 124.9
[M+Na]+ 156.04536 130.3
[M-H]- 132.04886 128.2
[M+NH4]+ 151.08996 145.3
[M+K]+ 172.01930 130.0
[M+H-H2O]+ 116.05340 119.4
[M+HCOO]- 178.05434 140.9
[M+CH3COO]- 192.06999 170.2
[M+Na-2H]- 154.03081 129.2
[M]+ 133.05559 121.4
[M]- 133.05669 121.4
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.