CID 22135013

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
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 157.3
[M+Na]+ 247.141698 163.6
[M-H]- 223.145204 157.4
[M+NH4]+ 242.186303 171.8
[M+K]+ 263.115638 156.9
[M+H-H2O]+ 207.149740 149.2
[M+HCOO]- 269.150681 169.7
[M+CH3COO]- 283.166331 191.2
[M+Na-2H]- 245.127146 161.0
[M]+ 224.15193142 147.3
[M]- 224.15302858 147.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe