CID 598370

1-cyclohexyliminomethyl-naphthalen-2-ol

Structural Information

Molecular Formula
C17H19NO
SMILES
C1CCC(CC1)N=CC2=C(C=CC3=CC=CC=C32)O
InChI
InChI=1S/C17H19NO/c19-17-11-10-13-6-4-5-9-15(13)16(17)12-18-14-7-2-1-3-8-14/h4-6,9-12,14,19H,1-3,7-8H2
InChIKey
BALNFYMIMXPXOU-UHFFFAOYSA-N
Compound name
1-(cyclohexyliminomethyl)naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

253.14667 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.153946 157.5
[M+Na]+ 276.135888 162.4
[M-H]- 252.139394 164.0
[M+NH4]+ 271.180493 174.8
[M+K]+ 292.109828 157.5
[M+H-H2O]+ 236.143930 149.4
[M+HCOO]- 298.144871 177.7
[M+CH3COO]- 312.160521 168.5
[M+Na-2H]- 274.121336 163.1
[M]+ 253.14612142 152.6
[M]- 253.14721858 152.6
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

No patent data available for this compound.