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

62
Patents

260.1372 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.144476 157.3
[M+Na]+ 283.126418 161.5
[M-H]- 259.129924 157.7
[M+NH4]+ 278.171023 173.2
[M+K]+ 299.100358 157.4
[M+H-H2O]+ 243.134460 156.9
[M+HCOO]- 305.135401 173.7
[M+CH3COO]- 319.151051 184.5
[M+Na-2H]- 281.111866 163.8
[M]+ 260.13665142 154.2
[M]- 260.13774858 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