CID 1252759

Alpha-campholenal

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CC1=CC[C@@H](C1(C)C)CC=O

InChI

InChI=1S/C10H16O/c1-8-4-5-9(6-7-11)10(8,2)3/h4,7,9H,5-6H2,1-3H3/t9-/m1/s1

InChIKey

OGCGGWYLHSJRFY-SECBINFHSA-N

Compound name

2-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]acetaldehyde

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 6
References: 1472
Patents: 152.12012 Da
Monoisotopic Mass: 1.9
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]+	153.127396	131.4
[M+Na]+	175.109338	140.4
[M-H]-	151.112844	135.5
[M+NH4]+	170.153943	157.0
[M+K]+	191.083278	138.8
[M+H-H2O]+	135.117380	127.6
[M+HCOO]-	197.118321	155.4
[M+CH3COO]-	211.133971	177.8
[M+Na-2H]-	173.094786	135.9
[M]+	152.11957142	132.7
[M]-	152.12066858	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe