CID 23636235

2-anilinotetralin-5-ol

Structural Information

Molecular Formula
C16H17NO
SMILES
C1CC2=C(CC1NC3=CC=CC=C3)C=CC=C2O
InChI
InChI=1S/C16H17NO/c18-16-8-4-5-12-11-14(9-10-15(12)16)17-13-6-2-1-3-7-13/h1-8,14,17-18H,9-11H2
InChIKey
HTWAXLQYMGVNQF-UHFFFAOYSA-N
Compound name
6-anilino-5,6,7,8-tetrahydronaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.13101 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.13829 152.4
[M+Na]+ 262.12023 158.1
[M-H]- 238.12373 158.1
[M+NH4]+ 257.16483 169.8
[M+K]+ 278.09417 153.0
[M+H-H2O]+ 222.12827 144.9
[M+HCOO]- 284.12921 172.8
[M+CH3COO]- 298.14486 163.8
[M+Na-2H]- 260.10568 159.3
[M]+ 239.13046 147.7
[M]- 239.13156 147.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.