CID 54066182

Car(15:0)

Structural Information

Molecular Formula
C22H44NO4
SMILES
CCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C22H43NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)27-20(18-21(24)25)19-23(2,3)4/h20H,5-19H2,1-4H3/p+1/t20-/m1/s1
InChIKey
MDDWQHVKSHTZTD-HXUWFJFHSA-O
Compound name
[(2R)-3-carboxy-2-pentadecanoyloxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

386.32703 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.33431 212.5
[M+Na]+ 409.31625 220.4
[M-H]- 385.31975 208.1
[M+NH4]+ 404.36085 216.1
[M+K]+ 425.29019 215.2
[M+H-H2O]+ 369.32429 199.4
[M+HCOO]- 431.32523 223.3
[M+CH3COO]- 445.34088 220.7
[M+Na-2H]- 407.30170 202.6
[M]+ 386.32648 212.1
[M]- 386.32758 212.1
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