CID 6441776

69929-08-4

Structural Information

Molecular Formula
C14H24O4
SMILES
C/C(=C/C(CC(=O)OC)C(=O)OC)/CC(C)(C)C
InChI
InChI=1S/C14H24O4/c1-10(9-14(2,3)4)7-11(13(16)18-6)8-12(15)17-5/h7,11H,8-9H2,1-6H3/b10-7-
InChIKey
QYUHOAGZCHWQNR-YFHOEESVSA-N
Compound name
dimethyl 2-[(Z)-2,4,4-trimethylpent-1-enyl]butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.16745 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.17473 162.1
[M+Na]+ 279.15667 168.8
[M+NH4]+ 274.20127 166.4
[M+K]+ 295.13061 166.4
[M-H]- 255.16017 158.1
[M+Na-2H]- 277.14212 161.6
[M]+ 256.16690 161.5
[M]- 256.16800 161.5
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

No patent data available for this compound.