CID 146048449

1824164-91-1

Structural Information

Molecular Formula
C11H16F3NO3
SMILES
CC(C)(C)OC(=O)N1CCC(C1)(C=O)C(F)(F)F
InChI
InChI=1S/C11H16F3NO3/c1-9(2,3)18-8(17)15-5-4-10(6-15,7-16)11(12,13)14/h7H,4-6H2,1-3H3
InChIKey
DYCASGWXOOYWGB-UHFFFAOYSA-N
Compound name
tert-butyl 3-formyl-3-(trifluoromethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

267.10822 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.11550 155.7
[M+Na]+ 290.09744 163.4
[M-H]- 266.10094 154.1
[M+NH4]+ 285.14204 174.9
[M+K]+ 306.07138 162.4
[M+H-H2O]+ 250.10548 149.2
[M+HCOO]- 312.10642 170.0
[M+CH3COO]- 326.12207 192.9
[M+Na-2H]- 288.08289 158.7
[M]+ 267.10767 152.8
[M]- 267.10877 152.8
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