CID 130590170

1876721-45-7

Structural Information

Molecular Formula
C12H21N3O2
SMILES
CC1CN(CCC1(C#N)N)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H21N3O2/c1-9-7-15(6-5-12(9,14)8-13)10(16)17-11(2,3)4/h9H,5-7,14H2,1-4H3
InChIKey
NZYARUVJKPPVIN-UHFFFAOYSA-N
Compound name
tert-butyl 4-amino-4-cyano-3-methylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.16338 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.17066 156.8
[M+Na]+ 262.15260 164.4
[M-H]- 238.15610 158.2
[M+NH4]+ 257.19720 173.1
[M+K]+ 278.12654 162.7
[M+H-H2O]+ 222.16064 145.1
[M+HCOO]- 284.16158 170.3
[M+CH3COO]- 298.17723 204.9
[M+Na-2H]- 260.13805 159.2
[M]+ 239.16283 149.4
[M]- 239.16393 149.4
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.