CID 72208017

(1-amino-3,3-difluorocyclobutyl)methanol

Structural Information

Molecular Formula
C5H9F2NO
SMILES
C1C(CC1(F)F)(CO)N
InChI
InChI=1S/C5H9F2NO/c6-5(7)1-4(8,2-5)3-9/h9H,1-3,8H2
InChIKey
IPTIROQWVYCEFV-UHFFFAOYSA-N
Compound name
(1-amino-3,3-difluorocyclobutyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

137.06522 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.07250 131.3
[M+Na]+ 160.05444 134.9
[M+NH4]+ 155.09904 136.8
[M+K]+ 176.02838 129.0
[M-H]- 136.05794 126.9
[M+Na-2H]- 158.03989 134.5
[M]+ 137.06467 129.3
[M]- 137.06577 129.3
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