CID 137964790

2228326-01-8

Structural Information

Molecular Formula
C8H13F2N
SMILES
C1CC2C(C2(F)F)CC1CN
InChI
InChI=1S/C8H13F2N/c9-8(10)6-2-1-5(4-11)3-7(6)8/h5-7H,1-4,11H2
InChIKey
CGMSUEJEXOQAGJ-UHFFFAOYSA-N
Compound name
(7,7-difluoro-3-bicyclo[4.1.0]heptanyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.10161 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.108886 129.2
[M+Na]+ 184.090828 138.7
[M-H]- 160.094334 131.6
[M+NH4]+ 179.135433 147.8
[M+K]+ 200.064768 135.8
[M+H-H2O]+ 144.098870 122.8
[M+HCOO]- 206.099811 147.7
[M+CH3COO]- 220.115461 184.1
[M+Na-2H]- 182.076276 135.0
[M]+ 161.10106142 125.6
[M]- 161.10215858 125.6
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.