CID 5312411

10z-pentadecenoic acid

Structural Information

Molecular Formula
C15H28O2
SMILES
CCCC/C=C\CCCCCCCCC(=O)O
InChI
InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h5-6H,2-4,7-14H2,1H3,(H,16,17)/b6-5-
InChIKey
APXSAEQXOXTDAM-WAYWQWQTSA-N
Compound name
(Z)-pentadec-10-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

144
Patents

240.20892 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.21620 164.4
[M+Na]+ 263.19814 167.9
[M-H]- 239.20164 161.7
[M+NH4]+ 258.24274 181.4
[M+K]+ 279.17208 164.6
[M+H-H2O]+ 223.20618 158.6
[M+HCOO]- 285.20712 183.6
[M+CH3COO]- 299.22277 194.0
[M+Na-2H]- 261.18359 164.9
[M]+ 240.20837 168.0
[M]- 240.20947 168.0
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