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]+ 251.156556 162.5
[M+Na]+ 273.138498 167.0
[M-H]- 249.142004 162.9
[M+NH4]+ 268.183103 176.3
[M+K]+ 289.112438 169.0
[M+H-H2O]+ 233.146540 152.2
[M+HCOO]- 295.147481 179.9
[M+CH3COO]- 309.163131 200.4
[M+Na-2H]- 271.123946 165.5
[M]+ 250.14873142 168.0
[M]- 250.14982858 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.