CID 54122002

141580-91-8

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

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
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]+	111.080442	133.0
[M+Na]+	133.062384	141.5
[M-H]-	109.065890	140.6
[M+NH4]+	128.106989	144.2
[M+K]+	149.036324	140.4
[M+H-H2O]+	93.070426	127.3
[M+HCOO]-	155.071367	154.2
[M+CH3COO]-	169.087017	184.1
[M+Na-2H]-	131.047832	137.5
[M]+	110.07261742	136.6
[M]-	110.07371458	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe