CID 557325

4a(2h)-naphthalenemethanol, octahydro-

Structural Information

Molecular Formula
C11H20O
SMILES
C1CCC2(CCCCC2C1)CO
InChI
InChI=1S/C11H20O/c12-9-11-7-3-1-5-10(11)6-2-4-8-11/h10,12H,1-9H2
InChIKey
ZVYRRWLYOCFIMM-UHFFFAOYSA-N
Compound name
2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

168.15141 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.15869 140.4
[M+Na]+ 191.14063 143.7
[M-H]- 167.14413 142.0
[M+NH4]+ 186.18523 162.7
[M+K]+ 207.11457 141.3
[M+H-H2O]+ 151.14867 135.1
[M+HCOO]- 213.14961 155.6
[M+CH3COO]- 227.16526 175.6
[M+Na-2H]- 189.12608 146.1
[M]+ 168.15086 132.4
[M]- 168.15196 132.4
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