CID 5282682

2-decyl acrylic acid

Structural Information

Molecular Formula
C13H24O2
SMILES
CCCCCCCCCCC(=C)C(=O)O
InChI
InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12(2)13(14)15/h2-11H2,1H3,(H,14,15)
InChIKey
YWZKHUXXEKYLCD-UHFFFAOYSA-N
Compound name
2-methylidenedodecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4169
Patents

212.17763 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.18491 155.6
[M+Na]+ 235.16685 159.6
[M-H]- 211.17035 153.3
[M+NH4]+ 230.21145 173.6
[M+K]+ 251.14079 157.2
[M+H-H2O]+ 195.17489 150.2
[M+HCOO]- 257.17583 174.4
[M+CH3COO]- 271.19148 189.4
[M+Na-2H]- 233.15230 155.9
[M]+ 212.17708 157.8
[M]- 212.17818 157.8
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