CID 149224433

Gamma-pinene

Structural Information

Molecular Formula

C₁₀H₁₆

SMILES

CC1C=C[C@H]2C[C@@H]1C2(C)C

InChI

InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4-5,7-9H,6H2,1-3H3/t7?,8-,9-/m0/s1

InChIKey

XJBOZKOSICCONT-NPPUSCPJSA-N

Compound name

(1R,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-2-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 136.1252 Da
Monoisotopic Mass: 3.3
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]+	137.132476	139.6
[M+Na]+	159.114418	146.8
[M-H]-	135.117924	139.9
[M+NH4]+	154.159023	161.8
[M+K]+	175.088358	147.4
[M+H-H2O]+	119.122460	132.1
[M+HCOO]-	181.123401	154.5
[M+CH3COO]-	195.139051	184.5
[M+Na-2H]-	157.099866	149.9
[M]+	136.12465142	151.6
[M]-	136.12574858	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.