CID 131006662

2-amino-3-(3,3-difluorocyclobutyl)propan-1-ol hydrochloride

Structural Information

Molecular Formula
C7H13F2NO
SMILES
C1C(CC1(F)F)CC(CO)N
InChI
InChI=1S/C7H13F2NO/c8-7(9)2-5(3-7)1-6(10)4-11/h5-6,11H,1-4,10H2
InChIKey
PHAQMULESNNCBQ-UHFFFAOYSA-N
Compound name
2-amino-3-(3,3-difluorocyclobutyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

165.09653 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.10381 138.0
[M+Na]+ 188.08575 143.2
[M-H]- 164.08925 137.2
[M+NH4]+ 183.13035 152.8
[M+K]+ 204.05969 144.5
[M+H-H2O]+ 148.09379 127.1
[M+HCOO]- 210.09473 155.6
[M+CH3COO]- 224.11038 182.1
[M+Na-2H]- 186.07120 140.4
[M]+ 165.09598 140.7
[M]- 165.09708 140.7
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