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]+ 298.201276 175.9
[M+Na]+ 320.183218 180.4
[M-H]- 296.186724 177.3
[M+NH4]+ 315.227823 191.9
[M+K]+ 336.157158 172.8
[M+H-H2O]+ 280.191260 174.3
[M+HCOO]- 342.192201 197.5
[M+CH3COO]- 356.207851 198.0
[M+Na-2H]- 318.168666 176.1
[M]+ 297.19345142 177.7
[M]- 297.19454858 177.7
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.