CID 13226739

4729-39-9

Structural Information

Molecular Formula

C₇H₁₀O

SMILES

C1C[C@@H]2[C@H](C1)C2C=O

InChI

InChI=1S/C7H10O/c8-4-7-5-2-1-3-6(5)7/h4-7H,1-3H2/t5-,6+,7?

InChIKey

RKDTXYVPCLFNJD-MEKDEQNOSA-N

Compound name

(1R,5S)-bicyclo[3.1.0]hexane-6-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 110.073166 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]+	111.08044	122.0
[M+Na]+	133.06238	134.1
[M+NH4]+	128.10699	132.4
[M+K]+	149.03632	131.0
[M-H]-	109.06589	130.4
[M+Na-2H]-	131.04783	128.8
[M]+	110.07262	127.1
[M]-	110.07371	127.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.