CID 518988

Tempace

Structural Information

Molecular Formula

C₁₁H₂₁N₂O₂

SMILES

CC(=O)NC1CC(N(C(C1)(C)C)[O])(C)C

InChI

InChI=1S/C11H21N2O2/c1-8(14)12-9-6-10(2,3)13(15)11(4,5)7-9/h9H,6-7H2,1-5H3,(H,12,14)

InChIKey

UXBLSWOMIHTQPH-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 19
Patents: 213.16031 Da
Monoisotopic Mass: 0.9
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]+	214.16759	146.1
[M+Na]+	236.14953	153.5
[M-H]-	212.15303	148.7
[M+NH4]+	231.19413	167.9
[M+K]+	252.12347	153.4
[M+H-H2O]+	196.15757	141.8
[M+HCOO]-	258.15851	165.1
[M+CH3COO]-	272.17416	192.1
[M+Na-2H]-	234.13498	150.3
[M]+	213.15976	145.7
[M]-	213.16086	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe