CID 15125931

Methyl 4-methyl-2,5-dihydro-1h-pyrrole-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C7H11NO2
SMILES
CC1=C(CNC1)C(=O)OC
InChI
InChI=1S/C7H11NO2/c1-5-3-8-4-6(5)7(9)10-2/h8H,3-4H2,1-2H3
InChIKey
UFPYGISTPCOXGG-UHFFFAOYSA-N
Compound name
methyl 4-methyl-2,5-dihydro-1H-pyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.07898 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.086256 129.2
[M+Na]+ 164.068198 136.9
[M-H]- 140.071704 130.2
[M+NH4]+ 159.112803 150.7
[M+K]+ 180.042138 135.9
[M+H-H2O]+ 124.076240 123.7
[M+HCOO]- 186.077181 150.5
[M+CH3COO]- 200.092831 170.1
[M+Na-2H]- 162.053646 132.7
[M]+ 141.07843142 128.1
[M]- 141.07952858 128.1
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.