CID 138689724

En300-33037444

Structural Information

Molecular Formula
C14H18N2O4
SMILES
CC(C)(C)OC(=O)N1CC(C1)C2=NC=C(C=C2)C(=O)O
InChI
InChI=1S/C14H18N2O4/c1-14(2,3)20-13(19)16-7-10(8-16)11-5-4-9(6-15-11)12(17)18/h4-6,10H,7-8H2,1-3H3,(H,17,18)
InChIKey
ULRCGORBAHMNHM-UHFFFAOYSA-N
Compound name
6-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

278.12665 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13393 165.3
[M+Na]+ 301.11587 170.1
[M-H]- 277.11937 167.7
[M+NH4]+ 296.16047 171.5
[M+K]+ 317.08981 171.8
[M+H-H2O]+ 261.12391 152.1
[M+HCOO]- 323.12485 179.8
[M+CH3COO]- 337.14050 199.3
[M+Na-2H]- 299.10132 166.8
[M]+ 278.12610 174.7
[M]- 278.12720 174.7
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