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]+ 142.08626 129.2
[M+Na]+ 164.06820 136.9
[M-H]- 140.07170 130.2
[M+NH4]+ 159.11280 150.7
[M+K]+ 180.04214 135.9
[M+H-H2O]+ 124.07624 123.7
[M+HCOO]- 186.07718 150.5
[M+CH3COO]- 200.09283 170.1
[M+Na-2H]- 162.05365 132.7
[M]+ 141.07843 128.1
[M]- 141.07953 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.