CID 86730349

1622205-77-9

Structural Information

Molecular Formula
C16H22N2O4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=NC=C(C=C2)C(=O)O
InChI
InChI=1S/C16H22N2O4/c1-16(2,3)22-15(21)18-8-6-11(7-9-18)13-5-4-12(10-17-13)14(19)20/h4-5,10-11H,6-9H2,1-3H3,(H,19,20)
InChIKey
UOLPEAAWHFNXIT-UHFFFAOYSA-N
Compound name
6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

306.15796 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.16524 172.4
[M+Na]+ 329.14718 176.7
[M-H]- 305.15068 174.3
[M+NH4]+ 324.19178 183.5
[M+K]+ 345.12112 174.6
[M+H-H2O]+ 289.15522 164.0
[M+HCOO]- 351.15616 185.2
[M+CH3COO]- 365.17181 201.1
[M+Na-2H]- 327.13263 173.4
[M]+ 306.15741 170.2
[M]- 306.15851 170.2
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