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
4
Annotation Hits

0
References

371
Patents

222.16199 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.169266 156.5
[M+Na]+ 245.151208 161.4
[M-H]- 221.154714 156.0
[M+NH4]+ 240.195813 175.1
[M+K]+ 261.125148 159.0
[M+H-H2O]+ 205.159250 151.3
[M+HCOO]- 267.160191 176.2
[M+CH3COO]- 281.175841 191.5
[M+Na-2H]- 243.136656 155.8
[M]+ 222.16144142 158.8
[M]- 222.16253858 158.8
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