CID 130712439

Tert-butyl 2-formyl-2-(methoxymethyl)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC(C)(C)OC(=O)N1CCCC1(COC)C=O
InChI
InChI=1S/C12H21NO4/c1-11(2,3)17-10(15)13-7-5-6-12(13,8-14)9-16-4/h8H,5-7,9H2,1-4H3
InChIKey
MRSATZDSIZGEMO-UHFFFAOYSA-N
Compound name
tert-butyl 2-formyl-2-(methoxymethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.14706 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.154336 155.7
[M+Na]+ 266.136278 162.3
[M-H]- 242.139784 157.7
[M+NH4]+ 261.180883 175.9
[M+K]+ 282.110218 162.3
[M+H-H2O]+ 226.144320 151.0
[M+HCOO]- 288.145261 174.6
[M+CH3COO]- 302.160911 190.0
[M+Na-2H]- 264.121726 158.9
[M]+ 243.14651142 158.9
[M]- 243.14760858 158.9
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.