CID 121493613

Pseudocarene

Structural Information

Molecular Formula

C₁₀H₁₆

SMILES

CC1([C@@H]2[C@H]1CC(=C)CC2)C

InChI

InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9+/m0/s1

InChIKey

LCWMKIHBLJLORW-DTWKUNHWSA-N

Compound name

(1R,6S)-7,7-dimethyl-3-methylidenebicyclo[4.1.0]heptane

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 29
Patents: 136.1252 Da
Monoisotopic Mass: 3.0
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]+	137.13248	130.7
[M+Na]+	159.11442	140.5
[M-H]-	135.11792	136.4
[M+NH4]+	154.15902	151.1
[M+K]+	175.08836	138.2
[M+H-H2O]+	119.12246	126.3
[M+HCOO]-	181.12340	150.4
[M+CH3COO]-	195.13905	180.0
[M+Na-2H]-	157.09987	137.1
[M]+	136.12465	130.9
[M]-	136.12575	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe