CID 3052861

Brn 2641631

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

CC(C)C1(CC2CC1C=C2)C(=O)N

InChI

InChI=1S/C11H17NO/c1-7(2)11(10(12)13)6-8-3-4-9(11)5-8/h3-4,7-9H,5-6H2,1-2H3,(H2,12,13)

InChIKey

KGRWXTQEPSOJHS-UHFFFAOYSA-N

Compound name

2-propan-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 179.13101 Da
Monoisotopic Mass: 1.7
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]+	180.138286	143.9
[M+Na]+	202.120228	150.7
[M-H]-	178.123734	146.5
[M+NH4]+	197.164833	170.5
[M+K]+	218.094168	148.6
[M+H-H2O]+	162.128270	140.1
[M+HCOO]-	224.129211	164.6
[M+CH3COO]-	238.144861	184.8
[M+Na-2H]-	200.105676	145.7
[M]+	179.13046142	142.1
[M]-	179.13155858	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.