CID 74128

2-naphthalenemethanol

Structural Information

Molecular Formula
C11H10O
SMILES
C1=CC=C2C=C(C=CC2=C1)CO
InChI
InChI=1S/C11H10O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8H2
InChIKey
MFGWMAAZYZSWMY-UHFFFAOYSA-N
Compound name
naphthalen-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

4706
Patents

158.07317 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.08045 130.1
[M+Na]+ 181.06239 138.7
[M-H]- 157.06589 133.6
[M+NH4]+ 176.10699 151.6
[M+K]+ 197.03633 135.1
[M+H-H2O]+ 141.07043 124.7
[M+HCOO]- 203.07137 152.8
[M+CH3COO]- 217.08702 175.3
[M+Na-2H]- 179.04784 139.5
[M]+ 158.07262 129.5
[M]- 158.07372 129.5
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