CID 91872

56471-14-8

Structural Information

Molecular Formula

C₁₂H₂₃NO

SMILES

CCNC(=O)C1(CCCC1C)C(C)C

InChI

InChI=1S/C12H23NO/c1-5-13-11(14)12(9(2)3)8-6-7-10(12)4/h9-10H,5-8H2,1-4H3,(H,13,14)

InChIKey

XDJYXLAMICXHRP-UHFFFAOYSA-N

Compound name

N-ethyl-2-methyl-1-propan-2-ylcyclopentane-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 197.17796 Da
Monoisotopic Mass: 3.0
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]+	198.185236	149.3
[M+Na]+	220.167178	154.1
[M-H]-	196.170684	152.3
[M+NH4]+	215.211783	172.2
[M+K]+	236.141118	153.0
[M+H-H2O]+	180.175220	144.6
[M+HCOO]-	242.176161	170.0
[M+CH3COO]-	256.191811	188.9
[M+Na-2H]-	218.152626	150.0
[M]+	197.17741142	147.3
[M]-	197.17850858	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe