CID 53426216

921199-39-5

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2CO2
InChI
InChI=1S/C12H21NO3/c1-12(2,3)16-11(14)13-6-4-9(5-7-13)10-8-15-10/h9-10H,4-8H2,1-3H3
InChIKey
MHJCAROLVBMINS-UHFFFAOYSA-N
Compound name
tert-butyl 4-(oxiran-2-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

227.15215 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15943 156.1
[M+Na]+ 250.14137 162.8
[M-H]- 226.14487 162.3
[M+NH4]+ 245.18597 167.1
[M+K]+ 266.11531 162.4
[M+H-H2O]+ 210.14941 148.9
[M+HCOO]- 272.15035 171.9
[M+CH3COO]- 286.16600 191.2
[M+Na-2H]- 248.12682 159.9
[M]+ 227.15160 157.9
[M]- 227.15270 157.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe