CID 137964702

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.09653 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.103806 138.0
[M+Na]+ 188.085748 143.2
[M-H]- 164.089254 137.2
[M+NH4]+ 183.130353 152.8
[M+K]+ 204.059688 144.5
[M+H-H2O]+ 148.093790 127.1
[M+HCOO]- 210.094731 155.6
[M+CH3COO]- 224.110381 182.1
[M+Na-2H]- 186.071196 140.4
[M]+ 165.09598142 140.7
[M]- 165.09707858 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

No patent data available for this compound.