CID 46835621

530115-96-9

Structural Information

Molecular Formula
C12H20N2O2
SMILES
CC1(CCN(CC1)C(=O)OC(C)(C)C)C#N
InChI
InChI=1S/C12H20N2O2/c1-11(2,3)16-10(15)14-7-5-12(4,9-13)6-8-14/h5-8H2,1-4H3
InChIKey
VREJUXWEWOVHHU-UHFFFAOYSA-N
Compound name
tert-butyl 4-cyano-4-methylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

224.15248 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.159756 151.8
[M+Na]+ 247.141698 159.7
[M-H]- 223.145204 153.6
[M+NH4]+ 242.186303 169.1
[M+K]+ 263.115638 157.8
[M+H-H2O]+ 207.149740 140.1
[M+HCOO]- 269.150681 165.2
[M+CH3COO]- 283.166331 199.9
[M+Na-2H]- 245.127146 155.7
[M]+ 224.15193142 145.8
[M]- 224.15302858 145.8
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