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]+ 237.14092 146.3
[M+Na]+ 259.12286 155.0
[M-H]- 235.12636 148.3
[M+NH4]+ 254.16746 162.7
[M+K]+ 275.09680 153.8
[M+H-H2O]+ 219.13090 141.8
[M+HCOO]- 281.13184 166.0
[M+CH3COO]- 295.14749 197.6
[M+Na-2H]- 257.10831 152.1
[M]+ 236.13309 147.8
[M]- 236.13419 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.