CID 121207600

2-(2,2-difluorocyclopropoxy)ethan-1-amine

Structural Information

Molecular Formula
C5H9F2NO
SMILES
C1C(C1(F)F)OCCN
InChI
InChI=1S/C5H9F2NO/c6-5(7)3-4(5)9-2-1-8/h4H,1-3,8H2
InChIKey
UIAZDWHRUVNAAL-UHFFFAOYSA-N
Compound name
2-(2,2-difluorocyclopropyl)oxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

137.06522 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.072496 120.8
[M+Na]+ 160.054438 131.0
[M-H]- 136.057944 123.1
[M+NH4]+ 155.099043 139.3
[M+K]+ 176.028378 129.6
[M+H-H2O]+ 120.062480 114.7
[M+HCOO]- 182.063421 143.5
[M+CH3COO]- 196.079071 178.3
[M+Na-2H]- 158.039886 127.7
[M]+ 137.06467142 121.1
[M]- 137.06576858 121.1
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

patents stripe