CID 379000

Tert-butyl 2-oxopyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C9H15NO3
SMILES
CC(C)(C)OC(=O)N1CCCC1=O
InChI
InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-6-4-5-7(10)11/h4-6H2,1-3H3
InChIKey
GJJYYMXBCYYXPQ-UHFFFAOYSA-N
Compound name
tert-butyl 2-oxopyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

1538
Patents

185.1052 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.112476 141.0
[M+Na]+ 208.094418 148.1
[M-H]- 184.097924 143.2
[M+NH4]+ 203.139023 161.6
[M+K]+ 224.068358 148.1
[M+H-H2O]+ 168.102460 135.8
[M+HCOO]- 230.103401 160.7
[M+CH3COO]- 244.119051 179.3
[M+Na-2H]- 206.079866 144.0
[M]+ 185.10465142 141.3
[M]- 185.10574858 141.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe