CID 125207

11-dodecenoic acid

Structural Information

Molecular Formula
C12H22O2
SMILES
C=CCCCCCCCCCC(=O)O
InChI
InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2H,1,3-11H2,(H,13,14)
InChIKey
GZZPOFFXKUVNSW-UHFFFAOYSA-N
Compound name
dodec-11-enoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

7
References

3768
Patents

198.16199 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.16927 150.5
[M+Na]+ 221.15121 155.2
[M-H]- 197.15471 148.4
[M+NH4]+ 216.19581 169.2
[M+K]+ 237.12515 152.7
[M+H-H2O]+ 181.15925 145.2
[M+HCOO]- 243.16019 170.7
[M+CH3COO]- 257.17584 185.6
[M+Na-2H]- 219.13666 152.7
[M]+ 198.16144 153.0
[M]- 198.16254 153.0
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