CID 9588811

121750-69-4

Structural Information

Molecular Formula
C17H22N2O3
SMILES
CC(C)C1=CC=C(C=C1)OC(=O)N2CCC=C(C2)/C=N/OC
InChI
InChI=1S/C17H22N2O3/c1-13(2)15-6-8-16(9-7-15)22-17(20)19-10-4-5-14(12-19)11-18-21-3/h5-9,11,13H,4,10,12H2,1-3H3/b18-11+
InChIKey
BCRQFJUSADVDQY-WOJGMQOQSA-N
Compound name
(4-propan-2-ylphenyl) 5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.16306 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.170336 172.2
[M+Na]+ 325.152278 176.8
[M-H]- 301.155784 178.1
[M+NH4]+ 320.196883 185.9
[M+K]+ 341.126218 174.9
[M+H-H2O]+ 285.160320 162.8
[M+HCOO]- 347.161261 192.9
[M+CH3COO]- 361.176911 208.3
[M+Na-2H]- 323.137726 173.8
[M]+ 302.16251142 173.3
[M]- 302.16360858 173.3
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.