CID 14667951

2,2-dimethylcycloheptan-1-ol

Structural Information

Molecular Formula
C9H18O
SMILES
CC1(CCCCCC1O)C
InChI
InChI=1S/C9H18O/c1-9(2)7-5-3-4-6-8(9)10/h8,10H,3-7H2,1-2H3
InChIKey
OYCABOPCPGTMKL-UHFFFAOYSA-N
Compound name
2,2-dimethylcycloheptan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

142.13577 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.14305 127.1
[M+Na]+ 165.12499 130.8
[M-H]- 141.12849 130.1
[M+NH4]+ 160.16959 148.4
[M+K]+ 181.09893 133.3
[M+H-H2O]+ 125.13303 123.5
[M+HCOO]- 187.13397 145.3
[M+CH3COO]- 201.14962 174.8
[M+Na-2H]- 163.11044 132.1
[M]+ 142.13522 119.9
[M]- 142.13632 119.9
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