CID 96895

69365-83-9

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

CCC1(CC2CC1C=C2)C(=O)N

InChI

InChI=1S/C10H15NO/c1-2-10(9(11)12)6-7-3-4-8(10)5-7/h3-4,7-8H,2,5-6H2,1H3,(H2,11,12)

InChIKey

IZEDOOYSHYZLAI-UHFFFAOYSA-N

Compound name

2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 6
Patents: 165.11537 Da
Monoisotopic Mass: 1.2
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]+	166.12265	138.3
[M+Na]+	188.10459	145.8
[M-H]-	164.10809	141.0
[M+NH4]+	183.14919	165.5
[M+K]+	204.07853	143.5
[M+H-H2O]+	148.11263	134.5
[M+HCOO]-	210.11357	160.5
[M+CH3COO]-	224.12922	180.9
[M+Na-2H]-	186.09004	141.9
[M]+	165.11482	136.9
[M]-	165.11592	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe