CID 145867633

1697407-08-1

Structural Information

Molecular Formula
C11H14N4O
SMILES
CC1=CC(=NC(=N1)N2C(=CC(=N2)C)C)CO
InChI
InChI=1S/C11H14N4O/c1-7-5-10(6-16)13-11(12-7)15-9(3)4-8(2)14-15/h4-5,16H,6H2,1-3H3
InChIKey
VSSYEESCWBPCOH-UHFFFAOYSA-N
Compound name
[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.11676 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.12404 150.0
[M+Na]+ 241.10598 161.3
[M-H]- 217.10948 151.3
[M+NH4]+ 236.15058 165.0
[M+K]+ 257.07992 157.1
[M+H-H2O]+ 201.11402 141.2
[M+HCOO]- 263.11496 169.5
[M+CH3COO]- 277.13061 188.1
[M+Na-2H]- 239.09143 153.4
[M]+ 218.11621 152.0
[M]- 218.11731 152.0
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.