CID 12425338

(2,2-dimethylcyclobutyl)methanol

Structural Information

Molecular Formula
C7H14O
SMILES
CC1(CCC1CO)C
InChI
InChI=1S/C7H14O/c1-7(2)4-3-6(7)5-8/h6,8H,3-5H2,1-2H3
InChIKey
KDDFEANSQQUNGO-UHFFFAOYSA-N
Compound name
(2,2-dimethylcyclobutyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

114.10446 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.111736 123.2
[M+Na]+ 137.093678 129.9
[M-H]- 113.097184 126.1
[M+NH4]+ 132.138283 141.2
[M+K]+ 153.067618 131.9
[M+H-H2O]+ 97.101720 115.5
[M+HCOO]- 159.102661 143.9
[M+CH3COO]- 173.118311 171.9
[M+Na-2H]- 135.079126 129.6
[M]+ 114.10391142 130.9
[M]- 114.10500858 130.9
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