CID 165908903

1-[3-(difluoromethyl)-3-methoxycyclobutyl]methanamine hydrochloride

Structural Information

Molecular Formula
C7H13F2NO
SMILES
COC1(CC(C1)CN)C(F)F
InChI
InChI=1S/C7H13F2NO/c1-11-7(6(8)9)2-5(3-7)4-10/h5-6H,2-4,10H2,1H3
InChIKey
UMNQUDZXJTXQKY-UHFFFAOYSA-N
Compound name
[3-(difluoromethyl)-3-methoxycyclobutyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.09653 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.103806 136.5
[M+Na]+ 188.085748 142.1
[M-H]- 164.089254 137.1
[M+NH4]+ 183.130353 152.0
[M+K]+ 204.059688 144.3
[M+H-H2O]+ 148.093790 125.5
[M+HCOO]- 210.094731 155.5
[M+CH3COO]- 224.110381 184.6
[M+Na-2H]- 186.071196 139.5
[M]+ 165.09598142 141.0
[M]- 165.09707858 141.0
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.