CID 78961

Quadricyclane

Structural Information

Molecular Formula

C₇H₈

SMILES

C1C2C3C2C4C1C34

InChI

InChI=1S/C7H8/c1-2-4-5(2)7-3(1)6(4)7/h2-7H,1H2

InChIKey

DGZUEIPKRRSMGK-UHFFFAOYSA-N

Compound name

tetracyclo[3.2.0.02,7.04,6]heptane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 916
Patents: 92.0626 Da
Monoisotopic Mass: 1.4
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	94.2
[M+Na]+	115.05182	103.0
[M+NH4]+	110.09642	103.0
[M+K]+	131.02576	105.7
[M-H]-	91.055324	104.3
[M+Na-2H]-	113.03727	99.6
[M]+	92.062051	99.4
[M]-	92.063149	99.4

Literature stripe

literature stripe

Patent stripe

patents stripe