CID 44614389

N-tetradecenoyl-l-homoserine lactone

Structural Information

Molecular Formula
C18H31NO3
SMILES
CCCCCC/C=C\CCCCCC(=O)N[C@H]1CCOC1=O
InChI
InChI=1S/C18H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)19-16-14-15-22-18(16)21/h7-8,16H,2-6,9-15H2,1H3,(H,19,20)/b8-7-/t16-/m0/s1
InChIKey
CAUQHAIJBWAQIL-PTZVLDCSSA-N
Compound name
(Z)-N-[(3S)-2-oxooxolan-3-yl]tetradec-7-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

309.2304 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.23768 181.8
[M+Na]+ 332.21962 183.9
[M-H]- 308.22312 183.8
[M+NH4]+ 327.26422 196.6
[M+K]+ 348.19356 181.2
[M+H-H2O]+ 292.22766 174.6
[M+HCOO]- 354.22860 201.4
[M+CH3COO]- 368.24425 208.3
[M+Na-2H]- 330.20507 180.4
[M]+ 309.22985 184.4
[M]- 309.23095 184.4
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

patents stripe