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]+ 230.13869 152.8
[M+Na]+ 252.12063 156.6
[M-H]- 228.12413 152.6
[M+NH4]+ 247.16523 168.4
[M+K]+ 268.09457 156.3
[M+H-H2O]+ 212.12867 146.3
[M+HCOO]- 274.12961 167.8
[M+CH3COO]- 288.14526 187.5
[M+Na-2H]- 250.10608 152.3
[M]+ 229.13086 150.5
[M]- 229.13196 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