CID 22867702

168544-95-4

Structural Information

Molecular Formula
C10H17F3N2O2
SMILES
CC(C)(C)OC(=O)N[C@H]1CNC[C@@H]1C(F)(F)F
InChI
InChI=1S/C10H17F3N2O2/c1-9(2,3)17-8(16)15-7-5-14-4-6(7)10(11,12)13/h6-7,14H,4-5H2,1-3H3,(H,15,16)/t6-,7-/m0/s1
InChIKey
TTZLWOFPFKRYBC-BQBZGAKWSA-N
Compound name
tert-butyl N-[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

254.1242 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13148 159.8
[M+Na]+ 277.11342 163.1
[M+NH4]+ 272.15802 162.9
[M+K]+ 293.08736 162.6
[M-H]- 253.11692 153.5
[M+Na-2H]- 275.09887 159.0
[M]+ 254.12365 157.7
[M]- 254.12475 157.7
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