CID 17995458

4-(dimethylamino)naphthalen-1-ol hydrochloride

Structural Information

Molecular Formula
C12H13NO
SMILES
CN(C)C1=CC=C(C2=CC=CC=C21)O
InChI
InChI=1S/C12H13NO/c1-13(2)11-7-8-12(14)10-6-4-3-5-9(10)11/h3-8,14H,1-2H3
InChIKey
QTXDOZVNRMLLPN-UHFFFAOYSA-N
Compound name
4-(dimethylamino)naphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

16
Patents

187.09972 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.10700 138.6
[M+Na]+ 210.08894 146.9
[M-H]- 186.09244 143.7
[M+NH4]+ 205.13354 159.5
[M+K]+ 226.06288 144.5
[M+H-H2O]+ 170.09698 132.5
[M+HCOO]- 232.09792 162.4
[M+CH3COO]- 246.11357 187.8
[M+Na-2H]- 208.07439 146.3
[M]+ 187.09917 139.2
[M]- 187.10027 139.2
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