CID 91277874

(3-fluoro-3-methylcyclobutyl)methanol

Structural Information

Molecular Formula
C6H11FO
SMILES
CC1(CC(C1)CO)F
InChI
InChI=1S/C6H11FO/c1-6(7)2-5(3-6)4-8/h5,8H,2-4H2,1H3
InChIKey
MNPBGQTWHFXYFJ-UHFFFAOYSA-N
Compound name
(3-fluoro-3-methylcyclobutyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

118.07939 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.086666 121.7
[M+Na]+ 141.068608 128.8
[M-H]- 117.072114 123.3
[M+NH4]+ 136.113213 139.3
[M+K]+ 157.042548 130.6
[M+H-H2O]+ 101.076650 113.1
[M+HCOO]- 163.077591 141.6
[M+CH3COO]- 177.093241 171.6
[M+Na-2H]- 139.054056 127.9
[M]+ 118.07884142 127.8
[M]- 118.07993858 127.8
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