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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	269.147136	159.2
[M+Na]+	291.129078	164.3
[M-H]-	267.132584	155.6
[M+NH4]+	286.173683	177.0
[M+K]+	307.103018	162.5
[M+H-H2O]+	251.137120	152.0
[M+HCOO]-	313.138061	172.5
[M+CH3COO]-	327.153711	192.9
[M+Na-2H]-	289.114526	162.4
[M]+	268.13931142	152.4
[M]-	268.14040858	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe