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]+ 213.12337 147.9
[M+Na]+ 235.10531 154.4
[M-H]- 211.10881 151.3
[M+NH4]+ 230.14991 167.6
[M+K]+ 251.07925 154.3
[M+H-H2O]+ 195.11335 141.8
[M+HCOO]- 257.11429 169.9
[M+CH3COO]- 271.12994 188.3
[M+Na-2H]- 233.09076 151.3
[M]+ 212.11554 148.8
[M]- 212.11664 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