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

109
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 115.6
[M+Na]+ 126.03479 121.3
[M-H]- 102.03829 118.9
[M+NH4]+ 121.07939 133.8
[M+K]+ 142.00873 123.3
[M+H-H2O]+ 86.042830 106.1
[M+HCOO]- 148.04377 133.0
[M+CH3COO]- 162.05942 170.4
[M+Na-2H]- 124.02024 120.3
[M]+ 103.04502 122.3
[M]- 103.04612 122.3
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