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

70
Patents

137.06522 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.072496 127.4
[M+Na]+ 160.054438 134.7
[M-H]- 136.057944 127.5
[M+NH4]+ 155.099043 145.4
[M+K]+ 176.028378 136.0
[M+H-H2O]+ 120.062480 118.5
[M+HCOO]- 182.063421 146.6
[M+CH3COO]- 196.079071 175.2
[M+Na-2H]- 158.039886 133.4
[M]+ 137.06467142 130.5
[M]- 137.06576858 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