CID 5282655

2-methyl-2-dodecenoic acid

Structural Information

Molecular Formula
C13H24O2
SMILES
CCCCCCCCC/C=C(\C)/C(=O)O
InChI
InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12(2)13(14)15/h11H,3-10H2,1-2H3,(H,14,15)/b12-11+
InChIKey
JVAKNQLSBYBCSZ-VAWYXSNFSA-N
Compound name
(E)-2-methyldodec-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

566
Patents

212.17763 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.184906 155.8
[M+Na]+ 235.166848 159.9
[M-H]- 211.170354 153.6
[M+NH4]+ 230.211453 173.9
[M+K]+ 251.140788 157.6
[M+H-H2O]+ 195.174890 150.4
[M+HCOO]- 257.175831 174.7
[M+CH3COO]- 271.191481 188.8
[M+Na-2H]- 233.152296 156.1
[M]+ 212.17708142 157.9
[M]- 212.17817858 157.9
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