CID 156704494

[4-(difluoromethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol hydrochloride

Structural Information

Molecular Formula
C7H11F2NO
SMILES
C1C2(CC1(NC2)CO)C(F)F
InChI
InChI=1S/C7H11F2NO/c8-5(9)6-1-7(2-6,4-11)10-3-6/h5,10-11H,1-4H2
InChIKey
AYIHDRFTWYLOLB-UHFFFAOYSA-N
Compound name
[4-(difluoromethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

163.08087 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.08815 144.5
[M+Na]+ 186.07009 151.3
[M-H]- 162.07359 139.8
[M+NH4]+ 181.11469 166.9
[M+K]+ 202.04403 150.6
[M+H-H2O]+ 146.07813 136.7
[M+HCOO]- 208.07907 156.5
[M+CH3COO]- 222.09472 177.7
[M+Na-2H]- 184.05554 150.5
[M]+ 163.08032 151.9
[M]- 163.08142 151.9
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