CID 129651624

Carvomenthenal

Structural Information

Molecular Formula

C₁₁H₁₈O

SMILES

CC1=C(C[C@@H](CC1)C(C)C)C=O

InChI

InChI=1S/C11H18O/c1-8(2)10-5-4-9(3)11(6-10)7-12/h7-8,10H,4-6H2,1-3H3/t10-/m1/s1

InChIKey

XAHPRECLTGRUBI-SNVBAGLBSA-N

Compound name

(5R)-2-methyl-5-propan-2-ylcyclohexene-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 166.13577 Da
Monoisotopic Mass: 2.6
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]+	167.14305	137.1
[M+Na]+	189.12499	143.5
[M-H]-	165.12849	140.5
[M+NH4]+	184.16959	158.1
[M+K]+	205.09893	142.1
[M+H-H2O]+	149.13303	131.9
[M+HCOO]-	211.13397	157.5
[M+CH3COO]-	225.14962	182.4
[M+Na-2H]-	187.11044	139.8
[M]+	166.13522	135.8
[M]-	166.13632	135.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.