CID 165824684

1-{1,1-difluoro-5-methylspiro[2.3]hexan-5-yl}methanamine,mixtureofdiastereomers

Structural Information

Molecular Formula
C8H13F2N
SMILES
CC1(CC2(C1)CC2(F)F)CN
InChI
InChI=1S/C8H13F2N/c1-6(5-11)2-7(3-6)4-8(7,9)10/h2-5,11H2,1H3
InChIKey
FJSLPVPLGSRFAM-UHFFFAOYSA-N
Compound name
(2,2-difluoro-5-methylspiro[2.3]hexan-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.10161 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.10889 132.7
[M+Na]+ 184.09083 142.2
[M-H]- 160.09433 137.5
[M+NH4]+ 179.13543 148.2
[M+K]+ 200.06477 143.7
[M+H-H2O]+ 144.09887 124.9
[M+HCOO]- 206.09981 151.6
[M+CH3COO]- 220.11546 186.6
[M+Na-2H]- 182.07628 139.8
[M]+ 161.10106 139.8
[M]- 161.10216 139.8
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.