CID 85685811

5,6-methylenetetradecanoic acid

Structural Information

Molecular Formula
C15H28O2
SMILES
CCCCCCCCC1CC1CCCC(=O)O
InChI
InChI=1S/C15H28O2/c1-2-3-4-5-6-7-9-13-12-14(13)10-8-11-15(16)17/h13-14H,2-12H2,1H3,(H,16,17)
InChIKey
HGTLIMXCUHOIQJ-UHFFFAOYSA-N
Compound name
4-(2-octylcyclopropyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.20892 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.21620 159.6
[M+Na]+ 263.19814 165.7
[M-H]- 239.20164 161.8
[M+NH4]+ 258.24274 172.2
[M+K]+ 279.17208 161.6
[M+H-H2O]+ 223.20618 153.0
[M+HCOO]- 285.20712 179.1
[M+CH3COO]- 299.22277 197.7
[M+Na-2H]- 261.18359 160.5
[M]+ 240.20837 165.4
[M]- 240.20947 165.4
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

No patent data available for this compound.