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

211
Patents

254.16304 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.17032 159.3
[M+Na]+ 277.15226 164.4
[M-H]- 253.15576 162.4
[M+NH4]+ 272.19686 175.8
[M+K]+ 293.12620 164.3
[M+H-H2O]+ 237.16030 152.9
[M+HCOO]- 299.16124 177.3
[M+CH3COO]- 313.17689 199.9
[M+Na-2H]- 275.13771 160.7
[M]+ 254.16249 159.1
[M]- 254.16359 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

No literature data available for this compound.

Patent stripe

patents stripe