CID 130571831

Tert-butyl 3-(methoxymethyl)pyrrolidine-3-carboxylate

Structural Information

Molecular Formula
C11H21NO3
SMILES
CC(C)(C)OC(=O)C1(CCNC1)COC
InChI
InChI=1S/C11H21NO3/c1-10(2,3)15-9(13)11(8-14-4)5-6-12-7-11/h12H,5-8H2,1-4H3
InChIKey
PAQDGKKPXSZBDU-UHFFFAOYSA-N
Compound name
tert-butyl 3-(methoxymethyl)pyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.15215 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.15943 151.8
[M+Na]+ 238.14137 157.2
[M-H]- 214.14487 152.1
[M+NH4]+ 233.18597 172.2
[M+K]+ 254.11531 156.6
[M+H-H2O]+ 198.14941 147.1
[M+HCOO]- 260.15035 169.1
[M+CH3COO]- 274.16600 182.7
[M+Na-2H]- 236.12682 155.3
[M]+ 215.15160 151.6
[M]- 215.15270 151.6
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.