CID 117274666

Tert-butyl 2-formyl-4,4-dimethylpyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC1(CC(N(C1)C(=O)OC(C)(C)C)C=O)C
InChI
InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-8-12(4,5)6-9(13)7-14/h7,9H,6,8H2,1-5H3
InChIKey
YAOIGHGUUSCYRF-UHFFFAOYSA-N
Compound name
tert-butyl 2-formyl-4,4-dimethylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

227.15215 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15943 153.3
[M+Na]+ 250.14137 161.5
[M+NH4]+ 245.18597 160.7
[M+K]+ 266.11531 157.9
[M-H]- 226.14487 151.6
[M+Na-2H]- 248.12682 156.4
[M]+ 227.15160 153.8
[M]- 227.15270 153.8
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