CID 130738015

1-[4-(difluoromethyl)oxan-4-yl]methanamine hydrochloride

Structural Information

Molecular Formula
C7H13F2NO
SMILES
C1COCCC1(CN)C(F)F
InChI
InChI=1S/C7H13F2NO/c8-6(9)7(5-10)1-3-11-4-2-7/h6H,1-5,10H2
InChIKey
RDAXULRKPAXBLP-UHFFFAOYSA-N
Compound name
[4-(difluoromethyl)oxan-4-yl]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 134.2
[M+Na]+ 188.085748 139.2
[M-H]- 164.089254 134.5
[M+NH4]+ 183.130353 154.4
[M+K]+ 204.059688 139.3
[M+H-H2O]+ 148.093790 127.4
[M+HCOO]- 210.094731 151.5
[M+CH3COO]- 224.110381 178.3
[M+Na-2H]- 186.071196 139.2
[M]+ 165.09598142 126.5
[M]- 165.09707858 126.5
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.