CID 68003960

Schembl9998941

Structural Information

Molecular Formula

C₁₀H₁₇NO₃

SMILES

CC1(OCC(O1)C(=O)N2CCCC2)C

InChI

InChI=1S/C10H17NO3/c1-10(2)13-7-8(14-10)9(12)11-5-3-4-6-11/h8H,3-7H2,1-2H3

InChIKey

BXCCQHUJQWLLCA-UHFFFAOYSA-N

Compound name

(2,2-dimethyl-1,3-dioxolan-4-yl)-pyrrolidin-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 199.12085 Da
Monoisotopic Mass: 0.5
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]+	200.128126	143.7
[M+Na]+	222.110068	149.6
[M-H]-	198.113574	149.8
[M+NH4]+	217.154673	164.1
[M+K]+	238.084008	151.4
[M+H-H2O]+	182.118110	138.8
[M+HCOO]-	244.119051	161.8
[M+CH3COO]-	258.134701	180.7
[M+Na-2H]-	220.095516	146.0
[M]+	199.12030142	142.5
[M]-	199.12139858	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe