CID 47003148

1-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C15H22N2O4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)N2C=CC=C2C(=O)O
InChI
InChI=1S/C15H22N2O4/c1-15(2,3)21-14(20)16-9-6-11(7-10-16)17-8-4-5-12(17)13(18)19/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,18,19)
InChIKey
RVYWWQANMITGFR-UHFFFAOYSA-N
Compound name
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.15796 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.16524 169.6
[M+Na]+ 317.14718 174.3
[M-H]- 293.15068 171.9
[M+NH4]+ 312.19178 183.2
[M+K]+ 333.12112 172.6
[M+H-H2O]+ 277.15522 162.2
[M+HCOO]- 339.15616 183.7
[M+CH3COO]- 353.17181 197.9
[M+Na-2H]- 315.13263 168.8
[M]+ 294.15741 167.9
[M]- 294.15851 167.9
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

No patent data available for this compound.