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
3
Annotation Hits

2
References

2941
Patents

208.14633 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.15361 146.2
[M+Na]+ 231.13555 152.2
[M+NH4]+ 226.18015 153.5
[M+K]+ 247.10949 145.6
[M-H]- 207.13905 142.0
[M+Na-2H]- 229.12100 144.0
[M]+ 208.14578 144.8
[M]- 208.14688 144.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe