CID 22135013

Schembl5868016

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]+ 225.15976 157.3
[M+Na]+ 247.14170 163.6
[M-H]- 223.14520 157.4
[M+NH4]+ 242.18630 171.8
[M+K]+ 263.11564 156.9
[M+H-H2O]+ 207.14974 149.2
[M+HCOO]- 269.15068 169.7
[M+CH3COO]- 283.16633 191.2
[M+Na-2H]- 245.12715 161.0
[M]+ 224.15193 147.3
[M]- 224.15303 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.