CID 5282657

2,5-dimethyl-2e-tridecenoic acid

Structural Information

Molecular Formula
C15H28O2
SMILES
CCCCCCCCC(C)C/C=C(\C)/C(=O)O
InChI
InChI=1S/C15H28O2/c1-4-5-6-7-8-9-10-13(2)11-12-14(3)15(16)17/h12-13H,4-11H2,1-3H3,(H,16,17)/b14-12+
InChIKey
GEHLKZFXBXCLPH-WYMLVPIESA-N
Compound name
(E)-2,5-dimethyltridec-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

240.20892 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.21620 165.2
[M+Na]+ 263.19814 168.3
[M-H]- 239.20164 162.7
[M+NH4]+ 258.24274 182.1
[M+K]+ 279.17208 165.9
[M+H-H2O]+ 223.20618 159.6
[M+HCOO]- 285.20712 182.4
[M+CH3COO]- 299.22277 195.6
[M+Na-2H]- 261.18359 163.1
[M]+ 240.20837 167.4
[M]- 240.20947 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