CID 900419

(4-methoxynaphthalen-1-yl)methanol

Structural Information

Molecular Formula
C12H12O2
SMILES
COC1=CC=C(C2=CC=CC=C21)CO
InChI
InChI=1S/C12H12O2/c1-14-12-7-6-9(8-13)10-4-2-3-5-11(10)12/h2-7,13H,8H2,1H3
InChIKey
VBXSDYNXURBEQH-UHFFFAOYSA-N
Compound name
(4-methoxynaphthalen-1-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

188.08372 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.09100 138.0
[M+Na]+ 211.07294 147.0
[M-H]- 187.07644 141.7
[M+NH4]+ 206.11754 158.5
[M+K]+ 227.04688 143.8
[M+H-H2O]+ 171.08098 132.3
[M+HCOO]- 233.08192 160.5
[M+CH3COO]- 247.09757 181.5
[M+Na-2H]- 209.05839 146.1
[M]+ 188.08317 139.6
[M]- 188.08427 139.6
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