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]+ 216.11315 146.8
[M+Na]+ 238.09509 154.0
[M-H]- 214.09859 149.4
[M+NH4]+ 233.13969 161.5
[M+K]+ 254.06903 149.6
[M+H-H2O]+ 198.10313 138.0
[M+HCOO]- 260.10407 169.0
[M+CH3COO]- 274.11972 186.9
[M+Na-2H]- 236.08054 155.5
[M]+ 215.10532 145.4
[M]- 215.10642 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