CID 4571096

Tert-butyl 3-carbamoylpyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C10H18N2O3
SMILES
CC(C)(C)OC(=O)N1CCC(C1)C(=O)N
InChI
InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-5-4-7(6-12)8(11)13/h7H,4-6H2,1-3H3,(H2,11,13)
InChIKey
NHDGOVOBEZPXMY-UHFFFAOYSA-N
Compound name
tert-butyl 3-carbamoylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

214.13174 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.139016 150.0
[M+Na]+ 237.120958 155.4
[M-H]- 213.124464 151.5
[M+NH4]+ 232.165563 168.6
[M+K]+ 253.094898 155.2
[M+H-H2O]+ 197.129000 144.1
[M+HCOO]- 259.129941 168.6
[M+CH3COO]- 273.145591 187.5
[M+Na-2H]- 235.106406 150.6
[M]+ 214.13119142 148.1
[M]- 214.13228858 148.1
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