CID 121272464

1894987-71-3

Structural Information

Molecular Formula
C9H15NO4
SMILES
CCOC(=O)C1CCC(CC1)[N+](=O)[O-]
InChI
InChI=1S/C9H15NO4/c1-2-14-9(11)7-3-5-8(6-4-7)10(12)13/h7-8H,2-6H2,1H3
InChIKey
VKAWQOZWOJYETD-UHFFFAOYSA-N
Compound name
ethyl 4-nitrocyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

201.10011 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.107386 143.8
[M+Na]+ 224.089328 148.0
[M-H]- 200.092834 146.6
[M+NH4]+ 219.133933 161.9
[M+K]+ 240.063268 143.9
[M+H-H2O]+ 184.097370 142.7
[M+HCOO]- 246.098311 164.9
[M+CH3COO]- 260.113961 178.0
[M+Na-2H]- 222.074776 148.1
[M]+ 201.09956142 140.2
[M]- 201.10065858 140.2
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

patents stripe