CID 138007628

2241129-59-7

Structural Information

Molecular Formula
C12H21F3N2O2
SMILES
CC(C)(C)OC(=O)NC1CCC(CC1)(C(F)(F)F)N
InChI
InChI=1S/C12H21F3N2O2/c1-10(2,3)19-9(18)17-8-4-6-11(16,7-5-8)12(13,14)15/h8H,4-7,16H2,1-3H3,(H,17,18)
InChIKey
YBROSIIZYMNZBT-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-amino-4-(trifluoromethyl)cyclohexyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.15552 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.16280 162.5
[M+Na]+ 305.14474 167.0
[M-H]- 281.14824 160.9
[M+NH4]+ 300.18934 179.6
[M+K]+ 321.11868 165.7
[M+H-H2O]+ 265.15278 155.4
[M+HCOO]- 327.15372 176.4
[M+CH3COO]- 341.16937 201.9
[M+Na-2H]- 303.13019 165.3
[M]+ 282.15497 154.0
[M]- 282.15607 154.0
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

No patent data available for this compound.