CID 57612877

N-methylthietan-3-amine hydrochloride

Structural Information

Molecular Formula
C4H9NS
SMILES
CNC1CSC1
InChI
InChI=1S/C4H9NS/c1-5-4-2-6-3-4/h4-5H,2-3H2,1H3
InChIKey
NHXJEKLPBBPMMM-UHFFFAOYSA-N
Compound name
N-methylthietan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

103.04557 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.052846 113.4
[M+Na]+ 126.034788 118.4
[M-H]- 102.038294 116.9
[M+NH4]+ 121.079393 130.0
[M+K]+ 142.008728 120.7
[M+H-H2O]+ 86.042830 102.6
[M+HCOO]- 148.043771 131.5
[M+CH3COO]- 162.059421 171.6
[M+Na-2H]- 124.020236 118.0
[M]+ 103.04502142 120.8
[M]- 103.04611858 120.8
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