CID 137963740

Tert-butyl 2-(2-methyl-1-oxopropan-2-yl)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C13H23NO3
SMILES
CC(C)(C)OC(=O)N1CCCC1C(C)(C)C=O
InChI
InChI=1S/C13H23NO3/c1-12(2,3)17-11(16)14-8-6-7-10(14)13(4,5)9-15/h9-10H,6-8H2,1-5H3
InChIKey
JBWCFWSOYYBLDT-UHFFFAOYSA-N
Compound name
tert-butyl 2-(2-methyl-1-oxopropan-2-yl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.1678 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.17508 158.3
[M+Na]+ 264.15702 164.0
[M-H]- 240.16052 160.1
[M+NH4]+ 259.20162 176.7
[M+K]+ 280.13096 163.6
[M+H-H2O]+ 224.16506 153.2
[M+HCOO]- 286.16600 175.0
[M+CH3COO]- 300.18165 191.8
[M+Na-2H]- 262.14247 160.4
[M]+ 241.16725 159.5
[M]- 241.16835 159.5
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

No patent data available for this compound.