CID 13969930

Methyl 2-methyl-1-(propan-2-yl)-4,5-dihydro-1h-pyrrole-3-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

CC1=C(CCN1C(C)C)C(=O)OC

InChI

InChI=1S/C10H17NO2/c1-7(2)11-6-5-9(8(11)3)10(12)13-4/h7H,5-6H2,1-4H3

InChIKey

BEHXBZVNQAYCKW-UHFFFAOYSA-N

Compound name

methyl 5-methyl-1-propan-2-yl-2,3-dihydropyrrole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.12593 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	184.133206	141.4
[M+Na]+	206.115148	149.0
[M-H]-	182.118654	143.9
[M+NH4]+	201.159753	162.2
[M+K]+	222.089088	148.6
[M+H-H2O]+	166.123190	135.6
[M+HCOO]-	228.124131	162.3
[M+CH3COO]-	242.139781	183.9
[M+Na-2H]-	204.100596	142.0
[M]+	183.12538142	143.1
[M]-	183.12647858	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.