CID 21458690

3-(ethanesulfonyl)propan-1-amine hydrochloride

Structural Information

Molecular Formula
C5H13NO2S
SMILES
CCS(=O)(=O)CCCN
InChI
InChI=1S/C5H13NO2S/c1-2-9(7,8)5-3-4-6/h2-6H2,1H3
InChIKey
UDZUCQFIJDKVQY-UHFFFAOYSA-N
Compound name
3-ethylsulfonylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

151.0667 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07398 130.4
[M+Na]+ 174.05592 137.9
[M-H]- 150.05942 130.4
[M+NH4]+ 169.10052 151.6
[M+K]+ 190.02986 136.2
[M+H-H2O]+ 134.06396 125.6
[M+HCOO]- 196.06490 148.6
[M+CH3COO]- 210.08055 174.6
[M+Na-2H]- 172.04137 134.2
[M]+ 151.06615 132.4
[M]- 151.06725 132.4
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