CID 15885837

(e)-2,6-dimethyl-2,5-heptadienoic acid

Structural Information

Molecular Formula
C9H14O2
SMILES
CC(=CC/C=C(\C)/C(=O)O)C
InChI
InChI=1S/C9H14O2/c1-7(2)5-4-6-8(3)9(10)11/h5-6H,4H2,1-3H3,(H,10,11)/b8-6+
InChIKey
IGQGIACCENRGLM-SOFGYWHQSA-N
Compound name
(2E)-2,6-dimethylhepta-2,5-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

154.09938 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.10666 135.6
[M+Na]+ 177.08860 141.6
[M-H]- 153.09210 134.4
[M+NH4]+ 172.13320 156.0
[M+K]+ 193.06254 140.2
[M+H-H2O]+ 137.09664 131.3
[M+HCOO]- 199.09758 155.1
[M+CH3COO]- 213.11323 176.0
[M+Na-2H]- 175.07405 136.9
[M]+ 154.09883 134.8
[M]- 154.09993 134.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe