CID 210534

Brn 0789227

Structural Information

Molecular Formula
C12H15N3O
SMILES
CN(C)C1=C(N(N=C1)C2=CC=CC=C2)CO
InChI
InChI=1S/C12H15N3O/c1-14(2)11-8-13-15(12(11)9-16)10-6-4-3-5-7-10/h3-8,16H,9H2,1-2H3
InChIKey
FVXOLLKYQMDTGP-UHFFFAOYSA-N
Compound name
[4-(dimethylamino)-1-phenylpyrazol-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.1215 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.128776 148.1
[M+Na]+ 240.110718 156.2
[M-H]- 216.114224 152.7
[M+NH4]+ 235.155323 165.5
[M+K]+ 256.084658 153.6
[M+H-H2O]+ 200.118760 139.6
[M+HCOO]- 262.119701 171.6
[M+CH3COO]- 276.135351 191.3
[M+Na-2H]- 238.096166 152.5
[M]+ 217.12095142 149.2
[M]- 217.12204858 149.2
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.