CID 22951486

643759-58-4

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

CC1=CCN(C1)C(=O)OC(C)(C)C

InChI

InChI=1S/C10H17NO2/c1-8-5-6-11(7-8)9(12)13-10(2,3)4/h5H,6-7H2,1-4H3

InChIKey

SEZAXFMJUXBDBU-UHFFFAOYSA-N

Compound name

tert-butyl 3-methyl-2,5-dihydropyrrole-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 84
Patents: 183.12593 Da
Monoisotopic Mass: 1.3
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]+	184.13321	142.3
[M+Na]+	206.11515	151.7
[M+NH4]+	201.15975	149.4
[M+K]+	222.08909	149.4
[M-H]-	182.11865	141.6
[M+Na-2H]-	204.10060	145.8
[M]+	183.12538	143.2
[M]-	183.12648	143.2

Literature stripe

literature stripe

Patent stripe

patents stripe