CID 153434933

2376851-89-5

Structural Information

Molecular Formula
C9H16O2
SMILES
CC(C)(C)/C=C/CC(=O)OC
InChI
InChI=1S/C9H16O2/c1-9(2,3)7-5-6-8(10)11-4/h5,7H,6H2,1-4H3/b7-5+
InChIKey
JXTGLLKAOIUVMJ-FNORWQNLSA-N
Compound name
methyl (E)-5,5-dimethylhex-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

156.11504 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.122316 135.6
[M+Na]+ 179.104258 142.7
[M-H]- 155.107764 136.0
[M+NH4]+ 174.148863 157.1
[M+K]+ 195.078198 142.4
[M+H-H2O]+ 139.112300 131.6
[M+HCOO]- 201.113241 156.9
[M+CH3COO]- 215.128891 177.5
[M+Na-2H]- 177.089706 140.7
[M]+ 156.11449142 138.3
[M]- 156.11558858 138.3
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