CID 44614388

(e)-n-[(3s)-2-oxooxolan-3-yl]dodec-2-enamide

Structural Information

Molecular Formula
C16H27NO3
SMILES
CCCCCCCCC/C=C/C(=O)N[C@H]1CCOC1=O
InChI
InChI=1S/C16H27NO3/c1-2-3-4-5-6-7-8-9-10-11-15(18)17-14-12-13-20-16(14)19/h10-11,14H,2-9,12-13H2,1H3,(H,17,18)/b11-10+/t14-/m0/s1
InChIKey
JSKFFGMODSNXFS-VNDWYCCKSA-N
Compound name
(E)-N-[(3S)-2-oxooxolan-3-yl]dodec-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1991 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.20638 172.8
[M+Na]+ 304.18832 175.7
[M-H]- 280.19182 175.2
[M+NH4]+ 299.23292 188.7
[M+K]+ 320.16226 173.5
[M+H-H2O]+ 264.19636 165.9
[M+HCOO]- 326.19730 193.0
[M+CH3COO]- 340.21295 202.3
[M+Na-2H]- 302.17377 172.4
[M]+ 281.19855 174.6
[M]- 281.19965 174.6
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.