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

120
Patents

103.04557 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.052846 115.6
[M+Na]+ 126.034788 121.3
[M-H]- 102.038294 118.9
[M+NH4]+ 121.079393 133.8
[M+K]+ 142.008728 123.3
[M+H-H2O]+ 86.042830 106.1
[M+HCOO]- 148.043771 133.0
[M+CH3COO]- 162.059421 170.4
[M+Na-2H]- 124.020236 120.3
[M]+ 103.04502142 122.3
[M]- 103.04611858 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