CID 165696714

2228190-63-2

Structural Information

Molecular Formula
C10H18F2N2O2
SMILES
CC(C)(C)OC(=O)NCC1(CC1(F)F)CN
InChI
InChI=1S/C10H18F2N2O2/c1-8(2,3)16-7(15)14-6-9(5-13)4-10(9,11)12/h4-6,13H2,1-3H3,(H,14,15)
InChIKey
LQZDTAYXUHARAA-UHFFFAOYSA-N
Compound name
tert-butyl N-[[1-(aminomethyl)-2,2-difluorocyclopropyl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.13364 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.140916 146.3
[M+Na]+ 259.122858 155.0
[M-H]- 235.126364 148.3
[M+NH4]+ 254.167463 162.7
[M+K]+ 275.096798 153.8
[M+H-H2O]+ 219.130900 141.8
[M+HCOO]- 281.131841 166.0
[M+CH3COO]- 295.147491 197.6
[M+Na-2H]- 257.108306 152.1
[M]+ 236.13309142 147.8
[M]- 236.13418858 147.8
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.