CID 165653122

Tert-butyl n-{5-amino-2,2-difluorospiro[2.3]hexan-1-yl}carbamate

Structural Information

Molecular Formula
C11H18F2N2O2
SMILES
CC(C)(C)OC(=O)NC1C2(C1(F)F)CC(C2)N
InChI
InChI=1S/C11H18F2N2O2/c1-9(2,3)17-8(16)15-7-10(11(7,12)13)4-6(14)5-10/h6-7H,4-5,14H2,1-3H3,(H,15,16)
InChIKey
HGQQSPARBNKOJM-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-amino-2,2-difluorospiro[2.3]hexan-1-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.13364 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14092 155.1
[M+Na]+ 271.12286 162.5
[M-H]- 247.12636 159.1
[M+NH4]+ 266.16746 165.3
[M+K]+ 287.09680 163.7
[M+H-H2O]+ 231.13090 145.8
[M+HCOO]- 293.13184 172.1
[M+CH3COO]- 307.14749 202.8
[M+Na-2H]- 269.10831 159.0
[M]+ 248.13309 163.1
[M]- 248.13419 163.1
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.