CID 56942426

Wjp2hbu8uu

Structural Information

Molecular Formula
C20H34O4
SMILES
C1CC1(CCCCCCCCCCCCC2(CC2)C(=O)O)C(=O)O
InChI
InChI=1S/C20H34O4/c21-17(22)19(13-14-19)11-9-7-5-3-1-2-4-6-8-10-12-20(15-16-20)18(23)24/h1-16H2,(H,21,22)(H,23,24)
InChIKey
KMDNTTRTPDGHSX-UHFFFAOYSA-N
Compound name
1-[12-(1-carboxycyclopropyl)dodecyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

338.2457 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.252976 184.0
[M+Na]+ 361.234918 186.9
[M-H]- 337.238424 187.3
[M+NH4]+ 356.279523 189.1
[M+K]+ 377.208858 185.3
[M+H-H2O]+ 321.242960 180.5
[M+HCOO]- 383.243901 196.8
[M+CH3COO]- 397.259551 215.9
[M+Na-2H]- 359.220366 183.1
[M]+ 338.24515142 191.8
[M]- 338.24624858 191.8
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