CID 16793953

N-methylthiolan-3-amine

Structural Information

Molecular Formula
C5H11NS
SMILES
CNC1CCSC1
InChI
InChI=1S/C5H11NS/c1-6-5-2-3-7-4-5/h5-6H,2-4H2,1H3
InChIKey
ZRMIZYDPXOJIRT-UHFFFAOYSA-N
Compound name
N-methylthiolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

117.06122 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.068496 122.7
[M+Na]+ 140.050438 129.3
[M-H]- 116.053944 126.3
[M+NH4]+ 135.095043 147.2
[M+K]+ 156.024378 128.2
[M+H-H2O]+ 100.058480 117.6
[M+HCOO]- 162.059421 142.0
[M+CH3COO]- 176.075071 168.9
[M+Na-2H]- 138.035886 125.6
[M]+ 117.06067142 120.6
[M]- 117.06176858 120.6
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

patents stripe