CID 155973732

2648948-45-0

Structural Information

Molecular Formula
C11H19F3N2O3
SMILES
CC(C)(C)OC(=O)N1CC(OCC1CN)C(F)(F)F
InChI
InChI=1S/C11H19F3N2O3/c1-10(2,3)19-9(17)16-5-8(11(12,13)14)18-6-7(16)4-15/h7-8H,4-6,15H2,1-3H3
InChIKey
WUSUUTSVDDDLDJ-UHFFFAOYSA-N
Compound name
tert-butyl 5-(aminomethyl)-2-(trifluoromethyl)morpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.13477 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14205 163.8
[M+Na]+ 307.12399 169.6
[M-H]- 283.12749 161.9
[M+NH4]+ 302.16859 176.8
[M+K]+ 323.09793 169.3
[M+H-H2O]+ 267.13203 155.2
[M+HCOO]- 329.13297 175.1
[M+CH3COO]- 343.14862 200.4
[M+Na-2H]- 305.10944 165.8
[M]+ 284.13422 158.3
[M]- 284.13532 158.3
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.