CID 105481710

Tert-butyl n-(4-amino-1,1-difluorobutan-2-yl)carbamate

Structural Information

Molecular Formula
C9H18F2N2O2
SMILES
CC(C)(C)OC(=O)NC(CCN)C(F)F
InChI
InChI=1S/C9H18F2N2O2/c1-9(2,3)15-8(14)13-6(4-5-12)7(10)11/h6-7H,4-5,12H2,1-3H3,(H,13,14)
InChIKey
UUYRNVXZKYRAKC-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-amino-1,1-difluorobutan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

224.13364 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.14092 151.5
[M+Na]+ 247.12286 156.1
[M-H]- 223.12636 148.4
[M+NH4]+ 242.16746 168.9
[M+K]+ 263.09680 156.0
[M+H-H2O]+ 207.13090 144.3
[M+HCOO]- 269.13184 169.8
[M+CH3COO]- 283.14749 194.8
[M+Na-2H]- 245.10831 152.1
[M]+ 224.13309 148.2
[M]- 224.13419 148.2
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

patents stripe