CID 15587542

Tert-butyl 2,5-dimethylpyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C11H21NO2
SMILES
CC1CCC(N1C(=O)OC(C)(C)C)C
InChI
InChI=1S/C11H21NO2/c1-8-6-7-9(2)12(8)10(13)14-11(3,4)5/h8-9H,6-7H2,1-5H3
InChIKey
FZSBLLYQAULJDU-UHFFFAOYSA-N
Compound name
tert-butyl 2,5-dimethylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

199.15723 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.16451 147.8
[M+Na]+ 222.14645 154.8
[M-H]- 198.14995 150.0
[M+NH4]+ 217.19105 168.3
[M+K]+ 238.12039 154.3
[M+H-H2O]+ 182.15449 142.6
[M+HCOO]- 244.15543 166.3
[M+CH3COO]- 258.17108 185.5
[M+Na-2H]- 220.13190 149.0
[M]+ 199.15668 148.4
[M]- 199.15778 148.4
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