CID 54593158

1-(ethanesulfonyl)propan-2-amine hydrochloride

Structural Information

Molecular Formula
C5H13NO2S
SMILES
CCS(=O)(=O)CC(C)N
InChI
InChI=1S/C5H13NO2S/c1-3-9(7,8)4-5(2)6/h5H,3-4,6H2,1-2H3
InChIKey
LPPRTXBLLYOZFW-UHFFFAOYSA-N
Compound name
1-ethylsulfonylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

151.0667 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07398 130.5
[M+Na]+ 174.05592 137.7
[M-H]- 150.05942 130.6
[M+NH4]+ 169.10052 151.6
[M+K]+ 190.02986 136.6
[M+H-H2O]+ 134.06396 125.8
[M+HCOO]- 196.06490 147.6
[M+CH3COO]- 210.08055 175.5
[M+Na-2H]- 172.04137 133.2
[M]+ 151.06615 131.9
[M]- 151.06725 131.9
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