CID 215832

36398-91-1

Structural Information

Molecular Formula
C18H24N2O4
SMILES
CC1C2CCC(C2)C1CNCCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H24N2O4/c1-12-14-2-3-15(10-14)17(12)11-19-8-9-24-18(21)13-4-6-16(7-5-13)20(22)23/h4-7,12,14-15,17,19H,2-3,8-11H2,1H3
InChIKey
WVBSJUJHYABFCD-UHFFFAOYSA-N
Compound name
2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methylamino]ethyl 4-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1736 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.180876 180.2
[M+Na]+ 355.162818 182.8
[M-H]- 331.166324 185.5
[M+NH4]+ 350.207423 197.5
[M+K]+ 371.136758 175.8
[M+H-H2O]+ 315.170860 178.3
[M+HCOO]- 377.171801 201.3
[M+CH3COO]- 391.187451 206.9
[M+Na-2H]- 353.148266 181.6
[M]+ 332.17305142 179.0
[M]- 332.17414858 179.0
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.