CID 165886582

2580230-86-8

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC1(C=CCCN1C(=O)OC(C)(C)C)CO
InChI
InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-8-6-5-7-12(13,4)9-14/h5,7,14H,6,8-9H2,1-4H3
InChIKey
XKBJDMXQZMCYKY-UHFFFAOYSA-N
Compound name
tert-butyl 6-(hydroxymethyl)-6-methyl-2,3-dihydropyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.15215 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15943 153.4
[M+Na]+ 250.14137 159.5
[M-H]- 226.14487 154.1
[M+NH4]+ 245.18597 171.9
[M+K]+ 266.11531 158.7
[M+H-H2O]+ 210.14941 148.4
[M+HCOO]- 272.15035 169.7
[M+CH3COO]- 286.16600 186.2
[M+Na-2H]- 248.12682 157.9
[M]+ 227.15160 153.3
[M]- 227.15270 153.3
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.