CID 10797825

(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanol

Structural Information

Molecular Formula
C12H16O2
SMILES
COC1=CC2=C(CCC(C2)CO)C=C1
InChI
InChI=1S/C12H16O2/c1-14-12-5-4-10-3-2-9(8-13)6-11(10)7-12/h4-5,7,9,13H,2-3,6,8H2,1H3
InChIKey
XDSRGROSZZUGOM-UHFFFAOYSA-N
Compound name
(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

192.11504 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.122316 141.1
[M+Na]+ 215.104258 148.0
[M-H]- 191.107764 144.0
[M+NH4]+ 210.148863 161.3
[M+K]+ 231.078198 145.1
[M+H-H2O]+ 175.112300 135.4
[M+HCOO]- 237.113241 160.6
[M+CH3COO]- 251.128891 182.2
[M+Na-2H]- 213.089706 147.1
[M]+ 192.11449142 139.8
[M]- 192.11558858 139.8
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