CID 91871

56471-13-7

Structural Information

Molecular Formula

C₁₃H₂₅NO

SMILES

CC1CCCC1(C(C)C)C(=O)NC(C)C

InChI

InChI=1S/C13H25NO/c1-9(2)13(8-6-7-11(13)5)12(15)14-10(3)4/h9-11H,6-8H2,1-5H3,(H,14,15)

InChIKey

UURITHKBXNEWEF-UHFFFAOYSA-N

Compound name

2-methyl-N,1-di(propan-2-yl)cyclopentane-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 211.19362 Da
Monoisotopic Mass: 3.5
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]+	212.200896	154.0
[M+Na]+	234.182838	158.1
[M-H]-	210.186344	156.9
[M+NH4]+	229.227443	176.3
[M+K]+	250.156778	157.3
[M+H-H2O]+	194.190880	149.4
[M+HCOO]-	256.191821	173.4
[M+CH3COO]-	270.207471	192.8
[M+Na-2H]-	232.168286	153.0
[M]+	211.19307142	151.8
[M]-	211.19416858	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe