CID 676248

102069-84-1

Structural Information

Molecular Formula
C14H19NO3
SMILES
COC[C@@H]1CCCN1C(=O)C2=CC=CC=C2OC
InChI
InChI=1S/C14H19NO3/c1-17-10-11-6-5-9-15(11)14(16)12-7-3-4-8-13(12)18-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3/t11-/m0/s1
InChIKey
CECTWDBFDAJIEO-NSHDSACASA-N
Compound name
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.13649 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14377 157.4
[M+Na]+ 272.12571 163.6
[M-H]- 248.12921 162.5
[M+NH4]+ 267.17031 175.0
[M+K]+ 288.09965 161.8
[M+H-H2O]+ 232.13375 149.8
[M+HCOO]- 294.13469 178.3
[M+CH3COO]- 308.15034 192.9
[M+Na-2H]- 270.11116 158.4
[M]+ 249.13594 158.6
[M]- 249.13704 158.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.