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

23
Patents

117.06122 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.06850 122.7
[M+Na]+ 140.05044 129.3
[M-H]- 116.05394 126.3
[M+NH4]+ 135.09504 147.2
[M+K]+ 156.02438 128.2
[M+H-H2O]+ 100.05848 117.6
[M+HCOO]- 162.05942 142.0
[M+CH3COO]- 176.07507 168.9
[M+Na-2H]- 138.03589 125.6
[M]+ 117.06067 120.6
[M]- 117.06177 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