CID 10610967

1202645-17-7

Structural Information

Molecular Formula
C13H22N2O3
SMILES
CC(C)(C)OC(=O)N1CCC(=O)/C(=C/N(C)C)/C1
InChI
InChI=1S/C13H22N2O3/c1-13(2,3)18-12(17)15-7-6-11(16)10(9-15)8-14(4)5/h8H,6-7,9H2,1-5H3/b10-8+
InChIKey
YUSMZDVTEOAHDL-CSKARUKUSA-N
Compound name
tert-butyl (3E)-3-(dimethylaminomethylidene)-4-oxopiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

194
Patents

254.16304 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.170316 159.3
[M+Na]+ 277.152258 164.4
[M-H]- 253.155764 162.4
[M+NH4]+ 272.196863 175.8
[M+K]+ 293.126198 164.3
[M+H-H2O]+ 237.160300 152.9
[M+HCOO]- 299.161241 177.3
[M+CH3COO]- 313.176891 199.9
[M+Na-2H]- 275.137706 160.7
[M]+ 254.16249142 159.1
[M]- 254.16358858 159.1
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