CID 23562638

Tert-butyl 3-(cyanomethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C12H20N2O2
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)CC#N
InChI
InChI=1S/C12H20N2O2/c1-12(2,3)16-11(15)14-8-4-5-10(9-14)6-7-13/h10H,4-6,8-9H2,1-3H3
InChIKey
RWAQULYYWNUYFH-UHFFFAOYSA-N
Compound name
tert-butyl 3-(cyanomethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

224.15248 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.15976 152.1
[M+Na]+ 247.14170 158.9
[M-H]- 223.14520 153.4
[M+NH4]+ 242.18630 167.5
[M+K]+ 263.11564 157.3
[M+H-H2O]+ 207.14974 139.4
[M+HCOO]- 269.15068 165.4
[M+CH3COO]- 283.16633 200.3
[M+Na-2H]- 245.12715 154.8
[M]+ 224.15193 145.7
[M]- 224.15303 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