CID 121208179

[(3,3-difluorocyclobutyl)methyl](ethyl)amine hydrochloride

Structural Information

Molecular Formula
C7H13F2N
SMILES
CCNCC1CC(C1)(F)F
InChI
InChI=1S/C7H13F2N/c1-2-10-5-6-3-7(8,9)4-6/h6,10H,2-5H2,1H3
InChIKey
VWHNTLUFIIKEMH-UHFFFAOYSA-N
Compound name
N-[(3,3-difluorocyclobutyl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

149.10161 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.108886 130.7
[M+Na]+ 172.090828 136.8
[M-H]- 148.094334 131.9
[M+NH4]+ 167.135433 147.3
[M+K]+ 188.064768 138.4
[M+H-H2O]+ 132.098870 120.0
[M+HCOO]- 194.099811 151.3
[M+CH3COO]- 208.115461 182.5
[M+Na-2H]- 170.076276 136.2
[M]+ 149.10106142 135.6
[M]- 149.10215858 135.6
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

patents stripe