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]+ 166.10381 136.5
[M+Na]+ 188.08575 142.1
[M-H]- 164.08925 137.1
[M+NH4]+ 183.13035 152.0
[M+K]+ 204.05969 144.3
[M+H-H2O]+ 148.09379 125.5
[M+HCOO]- 210.09473 155.5
[M+CH3COO]- 224.11038 184.6
[M+Na-2H]- 186.07120 139.5
[M]+ 165.09598 141.0
[M]- 165.09708 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.