CID 86675041

3-(2,2-dimethylpropyl)cyclobutane-1-carbaldehyde

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CC(C)(C)CC1CC(C1)C=O

InChI

InChI=1S/C10H18O/c1-10(2,3)6-8-4-9(5-8)7-11/h7-9H,4-6H2,1-3H3

InChIKey

IXXCSDOJDCPNAH-UHFFFAOYSA-N

Compound name

3-(2,2-dimethylpropyl)cyclobutane-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 154.13577 Da
Monoisotopic Mass: 2.7
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]+	155.14305	136.0
[M+Na]+	177.12499	142.1
[M+NH4]+	172.16959	140.4
[M+K]+	193.09893	138.5
[M-H]-	153.12849	134.1
[M+Na-2H]-	175.11044	138.0
[M]+	154.13522	135.1
[M]-	154.13632	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe