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

78
Patents

234.16199 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 160.4
[M+Na]+ 257.15121 168.3
[M-H]- 233.15471 160.0
[M+NH4]+ 252.19581 172.0
[M+K]+ 273.12515 164.1
[M+H-H2O]+ 217.15925 146.9
[M+HCOO]- 279.16019 168.0
[M+CH3COO]- 293.17584 214.0
[M+Na-2H]- 255.13666 159.8
[M]+ 234.16144 154.2
[M]- 234.16254 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