CID 84782294

Tert-butyl 3-isocyanatopyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C10H16N2O3
SMILES
CC(C)(C)OC(=O)N1CCC(C1)N=C=O
InChI
InChI=1S/C10H16N2O3/c1-10(2,3)15-9(14)12-5-4-8(6-12)11-7-13/h8H,4-6H2,1-3H3
InChIKey
OCXPTMDEHRWZTF-UHFFFAOYSA-N
Compound name
tert-butyl 3-isocyanatopyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

212.11609 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.123366 147.9
[M+Na]+ 235.105308 154.4
[M-H]- 211.108814 151.3
[M+NH4]+ 230.149913 167.6
[M+K]+ 251.079248 154.3
[M+H-H2O]+ 195.113350 141.8
[M+HCOO]- 257.114291 169.9
[M+CH3COO]- 271.129941 188.3
[M+Na-2H]- 233.090756 151.3
[M]+ 212.11554142 148.8
[M]- 212.11663858 148.8
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