CID 929336

(-)-nopyl acetate

Structural Information

Molecular Formula

C₁₃H₂₀O₂

SMILES

CC(=O)OCCC1=CC[C@H]2C[C@@H]1C2(C)C

InChI

InChI=1S/C13H20O2/c1-9(14)15-7-6-10-4-5-11-8-12(10)13(11,2)3/h4,11-12H,5-8H2,1-3H3/t11-,12-/m0/s1

InChIKey

AWNOGHRWORTNEI-RYUDHWBXSA-N

Compound name

2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl acetate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 3123
Patents: 208.14633 Da
Monoisotopic Mass: 2.6
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]+	209.153606	160.5
[M+Na]+	231.135548	165.8
[M-H]-	207.139054	159.9
[M+NH4]+	226.180153	179.4
[M+K]+	247.109488	166.8
[M+H-H2O]+	191.143590	152.1
[M+HCOO]-	253.144531	173.6
[M+CH3COO]-	267.160181	196.3
[M+Na-2H]-	229.120996	167.9
[M]+	208.14578142	174.8
[M]-	208.14687858	174.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe