CID 53346565

Tert-butyl 3-nitropiperidine-1-carboxylate

Structural Information

Molecular Formula
C10H18N2O4
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)[N+](=O)[O-]
InChI
InChI=1S/C10H18N2O4/c1-10(2,3)16-9(13)11-6-4-5-8(7-11)12(14)15/h8H,4-7H2,1-3H3
InChIKey
GSYKFOZNUUEUBY-UHFFFAOYSA-N
Compound name
tert-butyl 3-nitropiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

230.12666 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.13394 151.1
[M+Na]+ 253.11588 155.5
[M-H]- 229.11938 152.8
[M+NH4]+ 248.16048 167.1
[M+K]+ 269.08982 151.5
[M+H-H2O]+ 213.12392 149.7
[M+HCOO]- 275.12486 169.2
[M+CH3COO]- 289.14051 182.5
[M+Na-2H]- 251.10133 156.7
[M]+ 230.12611 147.6
[M]- 230.12721 147.6
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