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
2
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]+ 255.195476 160.9
[M+Na]+ 277.177418 167.6
[M-H]- 253.180924 164.4
[M+NH4]+ 272.222023 173.6
[M+K]+ 293.151358 166.2
[M+H-H2O]+ 237.185460 156.0
[M+HCOO]- 299.186401 177.6
[M+CH3COO]- 313.202051 199.4
[M+Na-2H]- 275.162866 161.8
[M]+ 254.18765142 167.4
[M]- 254.18874858 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