CID 72207898

1638759-66-6

Structural Information

Molecular Formula
C11H20F2N2O2
SMILES
CC(C)(C)OC(=O)NCC1(CC(C1)(F)F)CN
InChI
InChI=1S/C11H20F2N2O2/c1-9(2,3)17-8(16)15-7-10(6-14)4-11(12,13)5-10/h4-7,14H2,1-3H3,(H,15,16)
InChIKey
JYPHQTHNCQRXCW-UHFFFAOYSA-N
Compound name
tert-butyl N-[[1-(aminomethyl)-3,3-difluorocyclobutyl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.14928 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15656 162.5
[M+Na]+ 273.13850 167.0
[M-H]- 249.14200 162.9
[M+NH4]+ 268.18310 176.3
[M+K]+ 289.11244 169.0
[M+H-H2O]+ 233.14654 152.2
[M+HCOO]- 295.14748 179.9
[M+CH3COO]- 309.16313 200.4
[M+Na-2H]- 271.12395 165.5
[M]+ 250.14873 168.0
[M]- 250.14983 168.0
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.