CID 24783827

2-[(6-phenylpyridazin-3-yl)amino]ethan-1-ol

Structural Information

Molecular Formula
C12H13N3O
SMILES
C1=CC=C(C=C1)C2=NN=C(C=C2)NCCO
InChI
InChI=1S/C12H13N3O/c16-9-8-13-12-7-6-11(14-15-12)10-4-2-1-3-5-10/h1-7,16H,8-9H2,(H,13,15)
InChIKey
OZOHDKFTEWIBOO-UHFFFAOYSA-N
Compound name
2-[(6-phenylpyridazin-3-yl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

215.10587 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.113146 146.8
[M+Na]+ 238.095088 154.0
[M-H]- 214.098594 149.4
[M+NH4]+ 233.139693 161.5
[M+K]+ 254.069028 149.6
[M+H-H2O]+ 198.103130 138.0
[M+HCOO]- 260.104071 169.0
[M+CH3COO]- 274.119721 186.9
[M+Na-2H]- 236.080536 155.5
[M]+ 215.10532142 145.4
[M]- 215.10641858 145.4
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

patents stripe