CID 167715771

Methyl 5-methoxy-3,4-dihydro-2h-pyrrole-3-carboxylate

Structural Information

Molecular Formula
C7H11NO3
SMILES
COC1=NCC(C1)C(=O)OC
InChI
InChI=1S/C7H11NO3/c1-10-6-3-5(4-8-6)7(9)11-2/h5H,3-4H2,1-2H3
InChIKey
JGERSIMTYFKSKH-UHFFFAOYSA-N
Compound name
methyl 5-methoxy-3,4-dihydro-2H-pyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.0739 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.081176 131.3
[M+Na]+ 180.063118 139.4
[M-H]- 156.066624 133.8
[M+NH4]+ 175.107723 152.9
[M+K]+ 196.037058 139.8
[M+H-H2O]+ 140.071160 125.4
[M+HCOO]- 202.072101 154.4
[M+CH3COO]- 216.087751 174.2
[M+Na-2H]- 178.048566 135.4
[M]+ 157.07335142 133.4
[M]- 157.07444858 133.4
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.