CID 11252239

80434-59-9

Structural Information

Molecular Formula

C₁₁H₂₀O

SMILES

C[C@@H]1CC[C@H]([C@@H](C1)C=O)C(C)C

InChI

InChI=1S/C11H20O/c1-8(2)11-5-4-9(3)6-10(11)7-12/h7-11H,4-6H2,1-3H3/t9-,10+,11+/m1/s1

InChIKey

AUABNXZOGNPUSY-VWYCJHECSA-N

Compound name

(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 168.15141 Da
Monoisotopic Mass: 3.3
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]+	169.15869	139.9
[M+Na]+	191.14063	150.8
[M+NH4]+	186.18523	148.8
[M+K]+	207.11457	144.4
[M-H]-	167.14413	142.0
[M+Na-2H]-	189.12608	144.2
[M]+	168.15086	141.9
[M]-	168.15196	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe