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

0
Patents

142.13577 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.143046 127.1
[M+Na]+ 165.124988 130.8
[M-H]- 141.128494 130.1
[M+NH4]+ 160.169593 148.4
[M+K]+ 181.098928 133.3
[M+H-H2O]+ 125.133030 123.5
[M+HCOO]- 187.133971 145.3
[M+CH3COO]- 201.149621 174.8
[M+Na-2H]- 163.110436 132.1
[M]+ 142.13522142 119.9
[M]- 142.13631858 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