CID 24206711

2,4-pentadecadiynoic acid

Structural Information

Molecular Formula
C15H22O2
SMILES
CCCCCCCCCCC#CC#CC(=O)O
InChI
InChI=1S/C15H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-10H2,1H3,(H,16,17)
InChIKey
XRCJABKXJJKZPH-UHFFFAOYSA-N
Compound name
pentadeca-2,4-diynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

234.16199 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.169266 160.4
[M+Na]+ 257.151208 168.3
[M-H]- 233.154714 160.0
[M+NH4]+ 252.195813 172.0
[M+K]+ 273.125148 164.1
[M+H-H2O]+ 217.159250 146.9
[M+HCOO]- 279.160191 168.0
[M+CH3COO]- 293.175841 214.0
[M+Na-2H]- 255.136656 159.8
[M]+ 234.16144142 154.2
[M]- 234.16253858 154.2
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