CID 10374557

199467-25-9

Structural Information

Molecular Formula
C8H14O2
SMILES
CC(C)CC/C=C/C(=O)O
InChI
InChI=1S/C8H14O2/c1-7(2)5-3-4-6-8(9)10/h4,6-7H,3,5H2,1-2H3,(H,9,10)/b6-4+
InChIKey
RKQHHPKZOBFSRR-GQCTYLIASA-N
Compound name
(E)-6-methylhept-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

142.09938 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 132.5
[M+Na]+ 165.08860 138.8
[M-H]- 141.09210 131.3
[M+NH4]+ 160.13320 153.5
[M+K]+ 181.06254 137.8
[M+H-H2O]+ 125.09664 128.2
[M+HCOO]- 187.09758 153.1
[M+CH3COO]- 201.11323 173.7
[M+Na-2H]- 163.07405 135.6
[M]+ 142.09883 132.8
[M]- 142.09993 132.8
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