CID 5282729

Dodec-2-enoic acid

Structural Information

Molecular Formula

C₁₂H₂₂O₂

SMILES

CCCCCCCCC/C=C/C(=O)O

InChI

InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h10-11H,2-9H2,1H3,(H,13,14)/b11-10+

InChIKey

PAWGRNGPMLVJQH-ZHACJKMWSA-N

Compound name

(E)-dodec-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 34
References: 516
Patents: 198.16199 Da
Monoisotopic Mass: 4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	199.16927	150.2
[M+Na]+	221.15121	158.8
[M+NH4]+	216.19581	156.4
[M+K]+	237.12515	152.4
[M-H]-	197.15471	148.3
[M+Na-2H]-	219.13666	151.6
[M]+	198.16144	150.5
[M]-	198.16254	150.5

Literature stripe

literature stripe

Patent stripe

patents stripe