CID 21156081

72797-15-0

Structural Information

Molecular Formula
C16H27NO4
SMILES
CCCCCCCCCCCC1CC(=O)C(=C1[N+](=O)[O-])O
InChI
InChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-10-11-13-12-14(18)16(19)15(13)17(20)21/h13,19H,2-12H2,1H3
InChIKey
BXHGEDYLGZXPRA-UHFFFAOYSA-N
Compound name
2-hydroxy-3-nitro-4-undecylcyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.194 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.20128 173.3
[M+Na]+ 320.18322 182.0
[M+NH4]+ 315.22782 178.9
[M+K]+ 336.15716 180.0
[M-H]- 296.18672 173.9
[M+Na-2H]- 318.16867 173.8
[M]+ 297.19345 174.2
[M]- 297.19455 174.2
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.