CID 22248390

Tert-butyl 4-(cyanomethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C12H20N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CC#N
InChI
InChI=1S/C12H20N2O2/c1-12(2,3)16-11(15)14-8-5-10(4-7-13)6-9-14/h10H,4-6,8-9H2,1-3H3
InChIKey
LARQASBBVGBMDA-UHFFFAOYSA-N
Compound name
tert-butyl 4-(cyanomethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

224.15248 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.159756 152.1
[M+Na]+ 247.141698 158.9
[M-H]- 223.145204 153.4
[M+NH4]+ 242.186303 167.5
[M+K]+ 263.115638 157.3
[M+H-H2O]+ 207.149740 139.4
[M+HCOO]- 269.150681 165.4
[M+CH3COO]- 283.166331 200.3
[M+Na-2H]- 245.127146 154.8
[M]+ 224.15193142 145.7
[M]- 224.15302858 145.7
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

patents stripe