CID 18670727

817201-95-9

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)N1CCC(=CC1)CC(=O)O
InChI
InChI=1S/C12H19NO4/c1-12(2,3)17-11(16)13-6-4-9(5-7-13)8-10(14)15/h4H,5-8H2,1-3H3,(H,14,15)
InChIKey
HNZFCCYNOVJEHT-UHFFFAOYSA-N
Compound name
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

241.13141 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 155.2
[M+Na]+ 264.12063 160.3
[M-H]- 240.12413 155.6
[M+NH4]+ 259.16523 170.8
[M+K]+ 280.09457 159.6
[M+H-H2O]+ 224.12867 149.2
[M+HCOO]- 286.12961 170.9
[M+CH3COO]- 300.14526 188.8
[M+Na-2H]- 262.10608 157.4
[M]+ 241.13086 154.9
[M]- 241.13196 154.9
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

patents stripe