CID 137963745

2225142-53-8

Structural Information

Molecular Formula
C14H21NO4
SMILES
CC(C)(C)OC(=O)N1CCC(=CC1)C2(CC2)C(=O)O
InChI
InChI=1S/C14H21NO4/c1-13(2,3)19-12(18)15-8-4-10(5-9-15)14(6-7-14)11(16)17/h4H,5-9H2,1-3H3,(H,16,17)
InChIKey
PJQNPXDEDJSZLF-UHFFFAOYSA-N
Compound name
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.14706 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.15434 163.9
[M+Na]+ 290.13628 170.8
[M-H]- 266.13978 168.4
[M+NH4]+ 285.18088 175.6
[M+K]+ 306.11022 169.1
[M+H-H2O]+ 250.14432 158.5
[M+HCOO]- 312.14526 179.1
[M+CH3COO]- 326.16091 195.7
[M+Na-2H]- 288.12173 166.7
[M]+ 267.14651 166.1
[M]- 267.14761 166.1
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.