CID 19691491

Tert-butyl [3-(trifluoromethyl)pyrrolidin-3-yl]carbamate

Structural Information

Molecular Formula
C10H17F3N2O2
SMILES
CC(C)(C)OC(=O)NC1(CCNC1)C(F)(F)F
InChI
InChI=1S/C10H17F3N2O2/c1-8(2,3)17-7(16)15-9(10(11,12)13)4-5-14-6-9/h14H,4-6H2,1-3H3,(H,15,16)
InChIKey
CBRWRWRFOZZKCN-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(trifluoromethyl)pyrrolidin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

254.1242 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13148 154.7
[M+Na]+ 277.11342 160.2
[M-H]- 253.11692 151.2
[M+NH4]+ 272.15802 173.0
[M+K]+ 293.08736 158.6
[M+H-H2O]+ 237.12146 147.7
[M+HCOO]- 299.12240 168.3
[M+CH3COO]- 313.13805 189.9
[M+Na-2H]- 275.09887 158.4
[M]+ 254.12365 147.5
[M]- 254.12475 147.5
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