CID 66524

Vitamin k7

Structural Information

Molecular Formula
C11H11NO
SMILES
CC1=C(C2=CC=CC=C2C(=C1)O)N
InChI
InChI=1S/C11H11NO/c1-7-6-10(13)8-4-2-3-5-9(8)11(7)12/h2-6,13H,12H2,1H3
InChIKey
YJRCNAAPGQBVFS-UHFFFAOYSA-N
Compound name
4-amino-3-methylnaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

372
Patents

173.08406 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.091336 134.5
[M+Na]+ 196.073278 144.2
[M-H]- 172.076784 138.2
[M+NH4]+ 191.117883 155.5
[M+K]+ 212.047218 140.2
[M+H-H2O]+ 156.081320 129.2
[M+HCOO]- 218.082261 157.5
[M+CH3COO]- 232.097911 181.9
[M+Na-2H]- 194.058726 141.8
[M]+ 173.08351142 133.1
[M]- 173.08460858 133.1
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