CID 87098611

1824347-51-4

Structural Information

Molecular Formula

C₁₁H₁₉NO₃

SMILES

CC1CCN(C1C=O)C(=O)OC(C)(C)C

InChI

InChI=1S/C11H19NO3/c1-8-5-6-12(9(8)7-13)10(14)15-11(2,3)4/h7-9H,5-6H2,1-4H3

InChIKey

UDAVIPHGUXCSOK-UHFFFAOYSA-N

Compound name

tert-butyl 2-formyl-3-methylpyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 213.13649 Da
Monoisotopic Mass: 1.6
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]+	214.14377	149.3
[M+Na]+	236.12571	156.4
[M-H]-	212.12921	151.5
[M+NH4]+	231.17031	169.0
[M+K]+	252.09965	155.9
[M+H-H2O]+	196.13375	144.1
[M+HCOO]-	258.13469	168.2
[M+CH3COO]-	272.15034	186.6
[M+Na-2H]-	234.11116	150.7
[M]+	213.13594	150.7
[M]-	213.13704	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe