CID 53410620

1220033-95-3

Structural Information

Molecular Formula
C12H15NO3
SMILES
COC(=O)C1=CC=C(C=C1)OC2CCNC2
InChI
InChI=1S/C12H15NO3/c1-15-12(14)9-2-4-10(5-3-9)16-11-6-7-13-8-11/h2-5,11,13H,6-8H2,1H3
InChIKey
RVVAGWAATWTKFD-UHFFFAOYSA-N
Compound name
methyl 4-pyrrolidin-3-yloxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.1052 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.112476 149.1
[M+Na]+ 244.094418 154.8
[M-H]- 220.097924 152.7
[M+NH4]+ 239.139023 166.8
[M+K]+ 260.068358 152.5
[M+H-H2O]+ 204.102460 141.8
[M+HCOO]- 266.103401 169.1
[M+CH3COO]- 280.119051 183.2
[M+Na-2H]- 242.079866 151.4
[M]+ 221.10465142 147.3
[M]- 221.10574858 147.3
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.