CID 16768136

23913-55-5

Structural Information

Molecular Formula
C12H13NO
SMILES
C1=CC=C2C(=C1)C=CC=C2C(CN)O
InChI
InChI=1S/C12H13NO/c13-8-12(14)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12,14H,8,13H2
InChIKey
FWBOVFYHCSVEKC-UHFFFAOYSA-N
Compound name
2-amino-1-naphthalen-1-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

65
Patents

187.09972 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.10700 139.6
[M+Na]+ 210.08894 146.6
[M-H]- 186.09244 142.4
[M+NH4]+ 205.13354 159.2
[M+K]+ 226.06288 142.9
[M+H-H2O]+ 170.09698 133.7
[M+HCOO]- 232.09792 161.3
[M+CH3COO]- 246.11357 183.4
[M+Na-2H]- 208.07439 146.5
[M]+ 187.09917 137.0
[M]- 187.10027 137.0
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