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]+ 158.08118 131.3
[M+Na]+ 180.06312 139.4
[M-H]- 156.06662 133.8
[M+NH4]+ 175.10772 152.9
[M+K]+ 196.03706 139.8
[M+H-H2O]+ 140.07116 125.4
[M+HCOO]- 202.07210 154.4
[M+CH3COO]- 216.08775 174.2
[M+Na-2H]- 178.04857 135.4
[M]+ 157.07335 133.4
[M]- 157.07445 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.