CID 2537

Camphor

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CC1(C2CCC1(C(=O)C2)C)C

InChI

InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3

InChIKey

DSSYKIVIOFKYAU-UHFFFAOYSA-N

Compound name

1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 2900
References: 81653
Patents: 152.12012 Da
Monoisotopic Mass: 2.2
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]+	153.127396	133.2
[M+Na]+	175.109338	143.0
[M-H]-	151.112844	136.9
[M+NH4]+	170.153943	163.9
[M+K]+	191.083278	140.5
[M+H-H2O]+	135.117380	130.9
[M+HCOO]-	197.118321	154.6
[M+CH3COO]-	211.133971	177.4
[M+Na-2H]-	173.094786	138.3
[M]+	152.11957142	133.4
[M]-	152.12066858	133.4

Literature stripe

literature stripe

Patent stripe

patents stripe