CID 44828534

1-[(tert-butoxy)carbonyl]-3-isocyanopyrrolidine

Structural Information

Molecular Formula
C10H16N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(C1)[N+]#[C-]
InChI
InChI=1S/C10H16N2O2/c1-10(2,3)14-9(13)12-6-5-8(7-12)11-4/h8H,5-7H2,1-3H3
InChIKey
CCOTXXVUCIOSMC-UHFFFAOYSA-N
Compound name
tert-butyl 3-isocyanopyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

196.12119 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.12847 151.4
[M+Na]+ 219.11041 159.2
[M-H]- 195.11391 151.9
[M+NH4]+ 214.15501 168.4
[M+K]+ 235.08435 152.9
[M+H-H2O]+ 179.11845 143.5
[M+HCOO]- 241.11939 166.1
[M+CH3COO]- 255.13504 185.5
[M+Na-2H]- 217.09586 154.9
[M]+ 196.12064 142.4
[M]- 196.12174 142.4
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

patents stripe