CID 55281677

3-methylthietan-3-amine hydrochloride

Structural Information

Molecular Formula
C4H9NS
SMILES
CC1(CSC1)N
InChI
InChI=1S/C4H9NS/c1-4(5)2-6-3-4/h2-3,5H2,1H3
InChIKey
RBHLHYVXPUQTPN-UHFFFAOYSA-N
Compound name
3-methylthietan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

103.04557 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.05285 114.5
[M+Na]+ 126.03479 119.8
[M+NH4]+ 121.07939 121.8
[M+K]+ 142.00873 113.3
[M-H]- 102.03829 114.2
[M+Na-2H]- 124.02024 119.0
[M]+ 103.04502 114.4
[M]- 103.04612 114.4
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

patents stripe