CID 8473

2,5-norbornadiene

Structural Information

Molecular Formula

C₇H₈

SMILES

C1C2C=CC1C=C2

InChI

InChI=1S/C7H8/c1-2-7-4-3-6(1)5-7/h1-4,6-7H,5H2

InChIKey

SJYNFBVQFBRSIB-UHFFFAOYSA-N

Compound name

bicyclo[2.2.1]hepta-2,5-diene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 160
References: 51720
Patents: 92.0626 Da
Monoisotopic Mass: 2.1
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]+	93.069876	115.4
[M+Na]+	115.05182	126.7
[M+NH4]+	110.09642	126.7
[M+K]+	131.02576	123.3
[M-H]-	91.055324	117.2
[M+Na-2H]-	113.03727	120.5
[M]+	92.062051	117.5
[M]-	92.063149	117.5

Literature stripe

literature stripe

Patent stripe

patents stripe