CID 10888648

35418-16-7

Structural Information

Molecular Formula
C9H15NO3
SMILES
CC(C)(C)OC(=O)[C@@H]1CCC(=O)N1
InChI
InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)6-4-5-7(11)10-6/h6H,4-5H2,1-3H3,(H,10,11)/t6-/m0/s1
InChIKey
QXGSPAGZWRTTOT-LURJTMIESA-N
Compound name
tert-butyl (2S)-5-oxopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

217
Patents

185.1052 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.11248 141.8
[M+Na]+ 208.09442 148.3
[M-H]- 184.09792 142.5
[M+NH4]+ 203.13902 161.5
[M+K]+ 224.06836 147.4
[M+H-H2O]+ 168.10246 136.7
[M+HCOO]- 230.10340 159.9
[M+CH3COO]- 244.11905 177.4
[M+Na-2H]- 206.07987 144.3
[M]+ 185.10465 140.2
[M]- 185.10575 140.2
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