CID 11379159

86447-14-5

Structural Information

Molecular Formula
C11H17NO4
SMILES
CC(C)(C)OC(=O)N1CC=CC(C1)C(=O)O
InChI
InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-6-4-5-8(7-12)9(13)14/h4-5,8H,6-7H2,1-3H3,(H,13,14)
InChIKey
AJJZXQNJDSMECU-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

227.11575 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12303 150.6
[M+Na]+ 250.10497 156.2
[M-H]- 226.10847 151.1
[M+NH4]+ 245.14957 166.7
[M+K]+ 266.07891 155.7
[M+H-H2O]+ 210.11301 144.7
[M+HCOO]- 272.11395 166.6
[M+CH3COO]- 286.12960 185.8
[M+Na-2H]- 248.09042 153.3
[M]+ 227.11520 149.9
[M]- 227.11630 149.9
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