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

22
Patents

241.13141 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.138686 154.3
[M+Na]+ 264.120628 159.7
[M-H]- 240.124134 154.7
[M+NH4]+ 259.165233 170.0
[M+K]+ 280.094568 158.6
[M+H-H2O]+ 224.128670 148.8
[M+HCOO]- 286.129611 168.7
[M+CH3COO]- 300.145261 189.6
[M+Na-2H]- 262.106076 155.0
[M]+ 241.13086142 152.2
[M]- 241.13195858 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