CID 23297951

1-[(2-methylpropoxy)carbonyl]piperidine-4-carboxylic acid

Structural Information

Molecular Formula
C11H19NO4
SMILES
CC(C)COC(=O)N1CCC(CC1)C(=O)O
InChI
InChI=1S/C11H19NO4/c1-8(2)7-16-11(15)12-5-3-9(4-6-12)10(13)14/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKey
VRAMYYGDTFWZHI-UHFFFAOYSA-N
Compound name
1-(2-methylpropoxycarbonyl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

229.13141 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.138686 152.8
[M+Na]+ 252.120628 156.6
[M-H]- 228.124134 152.6
[M+NH4]+ 247.165233 168.4
[M+K]+ 268.094568 156.3
[M+H-H2O]+ 212.128670 146.3
[M+HCOO]- 274.129611 167.8
[M+CH3COO]- 288.145261 187.5
[M+Na-2H]- 250.106076 152.3
[M]+ 229.13086142 150.5
[M]- 229.13195858 150.5
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