CID 28930

Alpha-fenchene

Structural Information

Molecular Formula

C₁₀H₁₆

SMILES

CC1(C2CCC1C(=C)C2)C

InChI

InChI=1S/C10H16/c1-7-6-8-4-5-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3

InChIKey

XCPQUQHBVVXMRQ-UHFFFAOYSA-N

Compound name

7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 52331
Patents: 136.1252 Da
Monoisotopic Mass: 3.1
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]+	137.13248	131.7
[M+Na]+	159.11442	140.5
[M-H]-	135.11792	135.0
[M+NH4]+	154.15902	161.1
[M+K]+	175.08836	137.7
[M+H-H2O]+	119.12246	128.7
[M+HCOO]-	181.12340	152.9
[M+CH3COO]-	195.13905	175.6
[M+Na-2H]-	157.09987	135.4
[M]+	136.12465	130.1
[M]-	136.12575	130.1

Literature stripe

literature stripe

Patent stripe

patents stripe