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

8
Patents

201.10011 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.10739 143.8
[M+Na]+ 224.08933 148.0
[M-H]- 200.09283 146.6
[M+NH4]+ 219.13393 161.9
[M+K]+ 240.06327 143.9
[M+H-H2O]+ 184.09737 142.7
[M+HCOO]- 246.09831 164.9
[M+CH3COO]- 260.11396 178.0
[M+Na-2H]- 222.07478 148.1
[M]+ 201.09956 140.2
[M]- 201.10066 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