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]+ 150.10889 130.7
[M+Na]+ 172.09083 136.8
[M-H]- 148.09433 131.9
[M+NH4]+ 167.13543 147.3
[M+K]+ 188.06477 138.4
[M+H-H2O]+ 132.09887 120.0
[M+HCOO]- 194.09981 151.3
[M+CH3COO]- 208.11546 182.5
[M+Na-2H]- 170.07628 136.2
[M]+ 149.10106 135.6
[M]- 149.10216 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