CID 58806287

3,3-dimethylcyclobutan-1-ol

Structural Information

Molecular Formula
C6H12O
SMILES
CC1(CC(C1)O)C
InChI
InChI=1S/C6H12O/c1-6(2)3-5(7)4-6/h5,7H,3-4H2,1-2H3
InChIKey
OPDWLEDHLKYURY-UHFFFAOYSA-N
Compound name
3,3-dimethylcyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

220
Patents

100.08881 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.09609 118.9
[M+Na]+ 123.07803 125.6
[M+NH4]+ 118.12263 125.4
[M+K]+ 139.05197 120.5
[M-H]- 99.081534 117.5
[M+Na-2H]- 121.06348 123.1
[M]+ 100.08826 118.3
[M]- 100.08936 118.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe