CID 59686798

1-methanesulfonyl-n-methylpyrrolidin-3-amine hydrochloride

Structural Information

Molecular Formula
C6H14N2O2S
SMILES
CNC1CCN(C1)S(=O)(=O)C
InChI
InChI=1S/C6H14N2O2S/c1-7-6-3-4-8(5-6)11(2,9)10/h6-7H,3-5H2,1-2H3
InChIKey
VTSUBOKMHFKQAN-UHFFFAOYSA-N
Compound name
N-methyl-1-methylsulfonylpyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

178.0776 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08488 137.5
[M+Na]+ 201.06682 145.1
[M-H]- 177.07032 139.9
[M+NH4]+ 196.11142 158.4
[M+K]+ 217.04076 143.7
[M+H-H2O]+ 161.07486 132.0
[M+HCOO]- 223.07580 154.5
[M+CH3COO]- 237.09145 178.2
[M+Na-2H]- 199.05227 140.0
[M]+ 178.07705 137.5
[M]- 178.07815 137.5
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

patents stripe