CID 58671578

[3-(2-methylpropyl)cyclobutyl]methanol

Structural Information

Molecular Formula
C9H18O
SMILES
CC(C)CC1CC(C1)CO
InChI
InChI=1S/C9H18O/c1-7(2)3-8-4-9(5-8)6-10/h7-10H,3-6H2,1-2H3
InChIKey
PHFKCIGYNNVJQW-UHFFFAOYSA-N
Compound name
[3-(2-methylpropyl)cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

142.13577 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.143046 133.5
[M+Na]+ 165.124988 138.1
[M-H]- 141.128494 135.5
[M+NH4]+ 160.169593 148.2
[M+K]+ 181.098928 140.1
[M+H-H2O]+ 125.133030 123.8
[M+HCOO]- 187.133971 152.4
[M+CH3COO]- 201.149621 179.0
[M+Na-2H]- 163.110436 136.3
[M]+ 142.13522142 140.9
[M]- 142.13631858 140.9
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