CID 111351

Methyl vetivate

Structural Information

Molecular Formula
C14H20O2
SMILES
CC1=C(C2CC(C1(C2)C)C(=O)OC)C(=C)C
InChI
InChI=1S/C14H20O2/c1-8(2)12-9(3)14(4)7-10(12)6-11(14)13(15)16-5/h10-11H,1,6-7H2,2-5H3
InChIKey
QGLOTHQLJUMRHT-UHFFFAOYSA-N
Compound name
methyl 1,6-dimethyl-5-prop-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

220.14633 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.15361 153.2
[M+Na]+ 243.13555 161.7
[M-H]- 219.13905 156.6
[M+NH4]+ 238.18015 179.4
[M+K]+ 259.10949 159.1
[M+H-H2O]+ 203.14359 150.3
[M+HCOO]- 265.14453 173.0
[M+CH3COO]- 279.16018 192.5
[M+Na-2H]- 241.12100 153.1
[M]+ 220.14578 155.7
[M]- 220.14688 155.7
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