CID 9588811

145071-49-4

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]+ 303.17034 172.2
[M+Na]+ 325.15228 176.8
[M-H]- 301.15578 178.1
[M+NH4]+ 320.19688 185.9
[M+K]+ 341.12622 174.9
[M+H-H2O]+ 285.16032 162.8
[M+HCOO]- 347.16126 192.9
[M+CH3COO]- 361.17691 208.3
[M+Na-2H]- 323.13773 173.8
[M]+ 302.16251 173.3
[M]- 302.16361 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.