CID 58853091

2,2-dimethylcyclobutan-1-ol

Structural Information

Molecular Formula
C6H12O
SMILES
CC1(CCC1O)C
InChI
InChI=1S/C6H12O/c1-6(2)4-3-5(6)7/h5,7H,3-4H2,1-2H3
InChIKey
XHCDLTIWJSWMHC-UHFFFAOYSA-N
Compound name
2,2-dimethylcyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

199
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 118.6
[M+Na]+ 123.07803 125.7
[M-H]- 99.081534 121.6
[M+NH4]+ 118.12263 137.0
[M+K]+ 139.05197 127.9
[M+H-H2O]+ 83.086070 111.0
[M+HCOO]- 145.08701 139.5
[M+CH3COO]- 159.10266 169.0
[M+Na-2H]- 121.06348 125.5
[M]+ 100.08826 125.9
[M]- 100.08936 125.9
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