CID 557894

2-methylidenecycloheptan-1-ol

Structural Information

Molecular Formula
C8H14O
SMILES
C=C1CCCCCC1O
InChI
InChI=1S/C8H14O/c1-7-5-3-2-4-6-8(7)9/h8-9H,1-6H2
InChIKey
ZSWHQJIIKQTRGB-UHFFFAOYSA-N
Compound name
2-methylidenecycloheptan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

126.10446 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.111736 121.7
[M+Na]+ 149.093678 125.2
[M-H]- 125.097184 124.5
[M+NH4]+ 144.138283 141.7
[M+K]+ 165.067618 127.7
[M+H-H2O]+ 109.101720 117.9
[M+HCOO]- 171.102661 140.5
[M+CH3COO]- 185.118311 171.5
[M+Na-2H]- 147.079126 126.3
[M]+ 126.10391142 113.3
[M]- 126.10500858 113.3
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