CID 162342502

2-(3,3-dimethylcyclobutyl)ethan-1-ol

Structural Information

Molecular Formula
C8H16O
SMILES
CC1(CC(C1)CCO)C
InChI
InChI=1S/C8H16O/c1-8(2)5-7(6-8)3-4-9/h7,9H,3-6H2,1-2H3
InChIKey
MAASFMKHCDRXTM-UHFFFAOYSA-N
Compound name
2-(3,3-dimethylcyclobutyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.12012 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.127396 127.9
[M+Na]+ 151.109338 134.2
[M-H]- 127.112844 130.6
[M+NH4]+ 146.153943 145.3
[M+K]+ 167.083278 135.9
[M+H-H2O]+ 111.117380 119.9
[M+HCOO]- 173.118321 148.2
[M+CH3COO]- 187.133971 174.9
[M+Na-2H]- 149.094786 133.7
[M]+ 128.11957142 135.9
[M]- 128.12066858 135.9
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

No patent data available for this compound.