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

66
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 127.4
[M+Na]+ 160.05444 134.7
[M-H]- 136.05794 127.5
[M+NH4]+ 155.09904 145.4
[M+K]+ 176.02838 136.0
[M+H-H2O]+ 120.06248 118.5
[M+HCOO]- 182.06342 146.6
[M+CH3COO]- 196.07907 175.2
[M+Na-2H]- 158.03989 133.4
[M]+ 137.06467 130.5
[M]- 137.06577 130.5
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