CID 53486300

819800-93-6

Structural Information

Molecular Formula
C11H20N2O5
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C[N+](=O)[O-])O
InChI
InChI=1S/C11H20N2O5/c1-10(2,3)18-9(14)12-6-4-11(15,5-7-12)8-13(16)17/h15H,4-8H2,1-3H3
InChIKey
AJNCHUMJVPZDCG-UHFFFAOYSA-N
Compound name
tert-butyl 4-hydroxy-4-(nitromethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

260.1372 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14448 157.3
[M+Na]+ 283.12642 161.5
[M-H]- 259.12992 157.7
[M+NH4]+ 278.17102 173.2
[M+K]+ 299.10036 157.4
[M+H-H2O]+ 243.13446 156.9
[M+HCOO]- 305.13540 173.7
[M+CH3COO]- 319.15105 184.5
[M+Na-2H]- 281.11187 163.8
[M]+ 260.13665 154.2
[M]- 260.13775 154.2
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