CID 5980396

Geranyl crotonate

Structural Information

Molecular Formula
C14H22O2
SMILES
C/C=C/C(=O)OC/C=C(\C)/CCC=C(C)C
InChI
InChI=1S/C14H22O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h5,7-8,10H,6,9,11H2,1-4H3/b7-5+,13-10+
InChIKey
MQTAGIYIVBMTBT-XZUSAQEFSA-N
Compound name
[(2E)-3,7-dimethylocta-2,6-dienyl] (E)-but-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

260
Patents

222.16199 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.16927 157.5
[M+Na]+ 245.15121 165.8
[M+NH4]+ 240.19581 163.0
[M+K]+ 261.12515 160.0
[M-H]- 221.15471 155.2
[M+Na-2H]- 243.13666 158.1
[M]+ 222.16144 157.6
[M]- 222.16254 157.6
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