CID 9588815

Brn 5816510

Structural Information

Molecular Formula
C12H20N2O3
SMILES
CC(C)(C)C(=O)ON1CCC=C(C1)/C=N/OC
InChI
InChI=1S/C12H20N2O3/c1-12(2,3)11(15)17-14-7-5-6-10(9-14)8-13-16-4/h6,8H,5,7,9H2,1-4H3/b13-8+
InChIKey
QWDDGASHUKMOLG-MDWZMJQESA-N
Compound name
[5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridin-1-yl] 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.1474 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.15468 155.9
[M+Na]+ 263.13662 161.3
[M-H]- 239.14012 158.9
[M+NH4]+ 258.18122 172.7
[M+K]+ 279.11056 161.2
[M+H-H2O]+ 223.14466 148.8
[M+HCOO]- 285.14560 176.4
[M+CH3COO]- 299.16125 195.9
[M+Na-2H]- 261.12207 160.4
[M]+ 240.14685 157.7
[M]- 240.14795 157.7
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

No patent data available for this compound.