CID 12656856

(3,3-dimethylcyclobutyl)methanol

Structural Information

Molecular Formula
C7H14O
SMILES
CC1(CC(C1)CO)C
InChI
InChI=1S/C7H14O/c1-7(2)3-6(4-7)5-8/h6,8H,3-5H2,1-2H3
InChIKey
XEELTMBMTSMJSR-UHFFFAOYSA-N
Compound name
(3,3-dimethylcyclobutyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

114.10446 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.11174 123.2
[M+Na]+ 137.09368 129.9
[M-H]- 113.09718 126.1
[M+NH4]+ 132.13828 141.2
[M+K]+ 153.06762 131.9
[M+H-H2O]+ 97.101720 115.5
[M+HCOO]- 159.10266 143.9
[M+CH3COO]- 173.11831 171.9
[M+Na-2H]- 135.07913 129.6
[M]+ 114.10391 130.9
[M]- 114.10501 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