CID 115012874

1-(1-methanesulfonylcyclopropyl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C6H13NO2S
SMILES
CC(C1(CC1)S(=O)(=O)C)N
InChI
InChI=1S/C6H13NO2S/c1-5(7)6(3-4-6)10(2,8)9/h5H,3-4,7H2,1-2H3
InChIKey
IFPDBWUNKTYZFA-UHFFFAOYSA-N
Compound name
1-(1-methylsulfonylcyclopropyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.0667 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07398 129.9
[M+Na]+ 186.05592 138.9
[M-H]- 162.05942 134.3
[M+NH4]+ 181.10052 147.5
[M+K]+ 202.02986 137.2
[M+H-H2O]+ 146.06396 125.7
[M+HCOO]- 208.06490 146.9
[M+CH3COO]- 222.08055 180.0
[M+Na-2H]- 184.04137 134.6
[M]+ 163.06615 133.5
[M]- 163.06725 133.5
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

No patent data available for this compound.