CID 79902582

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

Structural Information

Molecular Formula

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	134.063416	124.9
[M+Na]+	156.045358	130.3
[M-H]-	132.048864	128.2
[M+NH4]+	151.089963	145.3
[M+K]+	172.019298	130.0
[M+H-H2O]+	116.053400	119.4
[M+HCOO]-	178.054341	140.9
[M+CH3COO]-	192.069991	170.2
[M+Na-2H]-	154.030806	129.2
[M]+	133.05559142	121.4
[M]-	133.05668858	121.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.