CID 44149550

85199-88-8

Structural Information

Molecular Formula

C₉H₁₂O₂

SMILES

C1CC2(CC1CC2C=O)C=O

InChI

InChI=1S/C9H12O2/c10-5-8-3-7-1-2-9(8,4-7)6-11/h5-8H,1-4H2

InChIKey

BUBNLSKXZYDNHK-UHFFFAOYSA-N

Compound name

bicyclo[2.2.1]heptane-1,2-dicarbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 134
Patents: 152.08372 Da
Monoisotopic Mass: 0.4
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]+	153.090996	133.2
[M+Na]+	175.072938	141.5
[M-H]-	151.076444	136.2
[M+NH4]+	170.117543	161.4
[M+K]+	191.046878	139.4
[M+H-H2O]+	135.080980	129.8
[M+HCOO]-	197.081921	155.2
[M+CH3COO]-	211.097571	174.5
[M+Na-2H]-	173.058386	138.1
[M]+	152.08317142	133.0
[M]-	152.08426858	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe