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]+ 104.05285 114.3
[M+Na]+ 126.03479 119.2
[M-H]- 102.03829 117.2
[M+NH4]+ 121.07939 130.5
[M+K]+ 142.00873 121.2
[M+H-H2O]+ 86.042830 103.4
[M+HCOO]- 148.04377 131.7
[M+CH3COO]- 162.05942 170.9
[M+Na-2H]- 124.02024 117.8
[M]+ 103.04502 120.7
[M]- 103.04612 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