CID 101354393

407627-05-8

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)N1CCC(=C)CC1C(=O)O
InChI
InChI=1S/C12H19NO4/c1-8-5-6-13(9(7-8)10(14)15)11(16)17-12(2,3)4/h9H,1,5-7H2,2-4H3,(H,14,15)
InChIKey
IDUPJBBZYMOVHP-UHFFFAOYSA-N
Compound name
4-methylidene-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

241.13141 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 154.3
[M+Na]+ 264.12063 159.7
[M-H]- 240.12413 154.7
[M+NH4]+ 259.16523 170.0
[M+K]+ 280.09457 158.6
[M+H-H2O]+ 224.12867 148.8
[M+HCOO]- 286.12961 168.7
[M+CH3COO]- 300.14526 189.6
[M+Na-2H]- 262.10608 155.0
[M]+ 241.13086 152.2
[M]- 241.13196 152.2
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