CID 54122002

Rac-(1r,2s)-[1,1'-bi(cyclopropane)]-2-carbaldehyde

Structural Information

Molecular Formula

C₇H₁₀O

SMILES

C1CC1[C@@H]2C[C@H]2C=O

InChI

InChI=1S/C7H10O/c8-4-6-3-7(6)5-1-2-5/h4-7H,1-3H2/t6-,7-/m0/s1

InChIKey

NOJDZTJKRLSDSN-BQBZGAKWSA-N

Compound name

(1R,2S)-2-cyclopropylcyclopropane-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 110.073166 Da
Monoisotopic Mass: 1.2
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	133.0
[M+Na]+	133.06238	141.5
[M-H]-	109.06589	140.6
[M+NH4]+	128.10699	144.2
[M+K]+	149.03632	140.4
[M+H-H2O]+	93.070426	127.3
[M+HCOO]-	155.07137	154.2
[M+CH3COO]-	169.08702	184.1
[M+Na-2H]-	131.04783	137.5
[M]+	110.07262	136.6
[M]-	110.07371	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe