CID 19691338

186203-22-5

Structural Information

Molecular Formula
C11H19F3N2O2
SMILES
CC(C)(C)OC(=O)NCC1(CCNC1)C(F)(F)F
InChI
InChI=1S/C11H19F3N2O2/c1-9(2,3)18-8(17)16-7-10(11(12,13)14)4-5-15-6-10/h15H,4-7H2,1-3H3,(H,16,17)
InChIKey
YSVOCDMDOWNORS-UHFFFAOYSA-N
Compound name
tert-butyl N-[[3-(trifluoromethyl)pyrrolidin-3-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

268.13986 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.14714 159.2
[M+Na]+ 291.12908 164.3
[M-H]- 267.13258 155.6
[M+NH4]+ 286.17368 177.0
[M+K]+ 307.10302 162.5
[M+H-H2O]+ 251.13712 152.0
[M+HCOO]- 313.13806 172.5
[M+CH3COO]- 327.15371 192.9
[M+Na-2H]- 289.11453 162.4
[M]+ 268.13931 152.4
[M]- 268.14041 152.4
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