CID 162342562

At30737

Structural Information

Molecular Formula
C9H18F2N2O2
SMILES
CC(C)(C)OC(=O)NC(C)(CN)C(F)F
InChI
InChI=1S/C9H18F2N2O2/c1-8(2,3)15-7(14)13-9(4,5-12)6(10)11/h6H,5,12H2,1-4H3,(H,13,14)
InChIKey
AGZMLGVGICAIMF-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-amino-1,1-difluoro-2-methylpropan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.13364 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.14092 150.1
[M+Na]+ 247.12286 155.3
[M-H]- 223.12636 147.3
[M+NH4]+ 242.16746 167.7
[M+K]+ 263.09680 155.3
[M+H-H2O]+ 207.13090 143.6
[M+HCOO]- 269.13184 167.9
[M+CH3COO]- 283.14749 194.3
[M+Na-2H]- 245.10831 153.0
[M]+ 224.13309 146.9
[M]- 224.13419 146.9
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.