CID 557637

1193-46-0

Structural Information

Molecular Formula
C8H16O
SMILES
CC1(CCCCC1O)C
InChI
InChI=1S/C8H16O/c1-8(2)6-4-3-5-7(8)9/h7,9H,3-6H2,1-2H3
InChIKey
BYBYZPFVXFPCND-UHFFFAOYSA-N
Compound name
2,2-dimethylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
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 134.1
[M-H]- 127.11284 130.0
[M+NH4]+ 146.15394 151.6
[M+K]+ 167.08328 133.1
[M+H-H2O]+ 111.11738 124.0
[M+HCOO]- 173.11832 147.2
[M+CH3COO]- 187.13397 169.4
[M+Na-2H]- 149.09479 133.7
[M]+ 128.11957 123.4
[M]- 128.12067 123.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe