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 160.9
[M+Na]+ 277.17742 167.6
[M-H]- 253.18092 164.4
[M+NH4]+ 272.22202 173.6
[M+K]+ 293.15136 166.2
[M+H-H2O]+ 237.18546 156.0
[M+HCOO]- 299.18640 177.6
[M+CH3COO]- 313.20205 199.4
[M+Na-2H]- 275.16287 161.8
[M]+ 254.18765 167.4
[M]- 254.18875 167.4
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