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]+ 268.154336 163.9
[M+Na]+ 290.136278 170.8
[M-H]- 266.139784 168.4
[M+NH4]+ 285.180883 175.6
[M+K]+ 306.110218 169.1
[M+H-H2O]+ 250.144320 158.5
[M+HCOO]- 312.145261 179.1
[M+CH3COO]- 326.160911 195.7
[M+Na-2H]- 288.121726 166.7
[M]+ 267.14651142 166.1
[M]- 267.14760858 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.