CID 155820413

2567504-63-4

Structural Information

Molecular Formula
C12H21F3N2O3
SMILES
CC(C)(C)OC(=O)NC1(CC(C1)(C(F)(F)F)OC)CN
InChI
InChI=1S/C12H21F3N2O3/c1-9(2,3)20-8(18)17-10(7-16)5-11(6-10,19-4)12(13,14)15/h5-7,16H2,1-4H3,(H,17,18)
InChIKey
MKBDZARXIPJNCS-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(aminomethyl)-3-methoxy-3-(trifluoromethyl)cyclobutyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.15042 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.15770 172.6
[M+Na]+ 321.13964 176.9
[M-H]- 297.14314 171.7
[M+NH4]+ 316.18424 184.5
[M+K]+ 337.11358 179.4
[M+H-H2O]+ 281.14768 161.8
[M+HCOO]- 343.14862 187.2
[M+CH3COO]- 357.16427 207.8
[M+Na-2H]- 319.12509 175.8
[M]+ 298.14987 177.9
[M]- 298.15097 177.9
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.