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

104
Patents

214.13174 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.13902 150.0
[M+Na]+ 237.12096 155.4
[M-H]- 213.12446 151.5
[M+NH4]+ 232.16556 168.6
[M+K]+ 253.09490 155.2
[M+H-H2O]+ 197.12900 144.1
[M+HCOO]- 259.12994 168.6
[M+CH3COO]- 273.14559 187.5
[M+Na-2H]- 235.10641 150.6
[M]+ 214.13119 148.1
[M]- 214.13229 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