CID 53488446

(thietan-3-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C4H9NS
SMILES
C1C(CS1)CN
InChI
InChI=1S/C4H9NS/c5-1-4-2-6-3-4/h4H,1-3,5H2
InChIKey
RIJUAJZTROUSRH-UHFFFAOYSA-N
Compound name
thietan-3-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
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 114.3
[M+Na]+ 126.034788 119.2
[M-H]- 102.038294 117.2
[M+NH4]+ 121.079393 130.5
[M+K]+ 142.008728 121.2
[M+H-H2O]+ 86.042830 103.4
[M+HCOO]- 148.043771 131.7
[M+CH3COO]- 162.059421 170.9
[M+Na-2H]- 124.020236 117.8
[M]+ 103.04502142 120.7
[M]- 103.04611858 120.7
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