CID 6754

Vitamin k5

Structural Information

Molecular Formula

C₁₁H₁₁NO

SMILES

CC1=C(C2=CC=CC=C2C(=C1)N)O

InChI

InChI=1S/C11H11NO/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6,13H,12H2,1H3

InChIKey

UGQFCTZXVAPVCS-UHFFFAOYSA-N

Compound name

4-amino-2-methylnaphthalen-1-ol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 32
References: 401
Patents: 173.08406 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	174.09134	134.5
[M+Na]+	196.07328	144.2
[M-H]-	172.07678	138.2
[M+NH4]+	191.11788	155.5
[M+K]+	212.04722	140.2
[M+H-H2O]+	156.08132	129.2
[M+HCOO]-	218.08226	157.5
[M+CH3COO]-	232.09791	181.9
[M+Na-2H]-	194.05873	141.8
[M]+	173.08351	133.1
[M]-	173.08461	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe