CID 10824510

Methyl 3-methoxy-4-(pyrrolidin-1-ylmethyl)benzoate

Structural Information

Molecular Formula
C14H19NO3
SMILES
COC1=C(C=CC(=C1)C(=O)OC)CN2CCCC2
InChI
InChI=1S/C14H19NO3/c1-17-13-9-11(14(16)18-2)5-6-12(13)10-15-7-3-4-8-15/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKey
FTXRHUFBRXSOBJ-UHFFFAOYSA-N
Compound name
methyl 3-methoxy-4-(pyrrolidin-1-ylmethyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

249.13649 Da
Monoisotopic Mass

2.1
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

No literature data available for this compound.

Patent stripe

patents stripe