CID 5312704

14-pentadecynoic acid

Structural Information

Molecular Formula
C15H26O2
SMILES
C#CCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h1H,3-14H2,(H,16,17)
InChIKey
XQWIFIPUVVRXNJ-UHFFFAOYSA-N
Compound name
pentadec-14-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

238.19328 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.200556 156.8
[M+Na]+ 261.182498 162.8
[M-H]- 237.186004 154.1
[M+NH4]+ 256.227103 172.1
[M+K]+ 277.156438 159.1
[M+H-H2O]+ 221.190540 145.3
[M+HCOO]- 283.191481 170.9
[M+CH3COO]- 297.207131 200.7
[M+Na-2H]- 259.167946 157.5
[M]+ 238.19273142 155.0
[M]- 238.19382858 155.0
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