CID 92108

Camphane

Structural Information

Molecular Formula

C₁₀H₁₈

SMILES

CC1(C2CCC1(CC2)C)C

InChI

InChI=1S/C10H18/c1-9(2)8-4-6-10(9,3)7-5-8/h8H,4-7H2,1-3H3

InChIKey

BEWYHVAWEKZDPP-UHFFFAOYSA-N

Compound name

1,7,7-trimethylbicyclo[2.2.1]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 55
References: 67529
Patents: 138.14085 Da
Monoisotopic Mass: 4.0
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]+	139.14813	132.8
[M+Na]+	161.13007	141.4
[M-H]-	137.13357	136.1
[M+NH4]+	156.17467	163.9
[M+K]+	177.10401	139.1
[M+H-H2O]+	121.13811	129.9
[M+HCOO]-	183.13905	153.8
[M+CH3COO]-	197.15470	175.3
[M+Na-2H]-	159.11552	138.1
[M]+	138.14030	131.8
[M]-	138.14140	131.8

Literature stripe

literature stripe

Patent stripe

patents stripe