CID 103397

65416-34-4

Structural Information

Molecular Formula
C15H26O3
SMILES
CC(CCCC1(C(O1)C(=O)O)C)CCC=C(C)C
InChI
InChI=1S/C15H26O3/c1-11(2)7-5-8-12(3)9-6-10-15(4)13(18-15)14(16)17/h7,12-13H,5-6,8-10H2,1-4H3,(H,16,17)
InChIKey
HNKTWOAOIFUVAM-UHFFFAOYSA-N
Compound name
3-(4,8-dimethylnon-7-enyl)-3-methyloxirane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

254.1882 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.19548 161.6
[M+Na]+ 277.17742 171.3
[M+NH4]+ 272.22202 169.1
[M+K]+ 293.15136 166.9
[M-H]- 253.18092 168.7
[M+Na-2H]- 275.16287 166.4
[M]+ 254.18765 166.0
[M]- 254.18875 166.0
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