CID 162342502

At30233

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]+ 129.12740 127.9
[M+Na]+ 151.10934 134.2
[M-H]- 127.11284 130.6
[M+NH4]+ 146.15394 145.3
[M+K]+ 167.08328 135.9
[M+H-H2O]+ 111.11738 119.9
[M+HCOO]- 173.11832 148.2
[M+CH3COO]- 187.13397 174.9
[M+Na-2H]- 149.09479 133.7
[M]+ 128.11957 135.9
[M]- 128.12067 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.