CID 21259994

3-methanesulfinylpropan-1-amine hydrochloride

Structural Information

Molecular Formula
C4H11NOS
SMILES
CS(=O)CCCN
InChI
InChI=1S/C4H11NOS/c1-7(6)4-2-3-5/h2-5H2,1H3
InChIKey
COPMQUUNXNNQJO-UHFFFAOYSA-N
Compound name
3-methylsulfinylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

121.05614 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.06342 123.1
[M+Na]+ 144.04536 130.2
[M-H]- 120.04886 123.2
[M+NH4]+ 139.08996 145.4
[M+K]+ 160.01930 129.1
[M+H-H2O]+ 104.05340 118.1
[M+HCOO]- 166.05434 141.6
[M+CH3COO]- 180.06999 171.0
[M+Na-2H]- 142.03081 125.5
[M]+ 121.05559 123.8
[M]- 121.05669 123.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe