CID 105571446

Rac-4-[(3r,4r)-4-methylpyrrolidine-3-carbonyl]morpholine hydrochloride

Structural Information

Molecular Formula
C10H18N2O2
SMILES
C[C@@H]1CNC[C@H]1C(=O)N2CCOCC2
InChI
InChI=1S/C10H18N2O2/c1-8-6-11-7-9(8)10(13)12-2-4-14-5-3-12/h8-9,11H,2-7H2,1H3/t8-,9-/m1/s1
InChIKey
XKJNFGXYEDMIEM-RKDXNWHRSA-N
Compound name
[(3S,4S)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.13683 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.144106 147.3
[M+Na]+ 221.126048 151.0
[M-H]- 197.129554 149.2
[M+NH4]+ 216.170653 163.0
[M+K]+ 237.099988 150.1
[M+H-H2O]+ 181.134090 139.5
[M+HCOO]- 243.135031 161.1
[M+CH3COO]- 257.150681 179.1
[M+Na-2H]- 219.111496 148.0
[M]+ 198.13628142 140.1
[M]- 198.13737858 140.1
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.