CID 63962636

Adamantan-1-yl(1-methyl-1h-pyrazol-5-yl)methanol

Structural Information

Molecular Formula
C15H22N2O
SMILES
CN1C(=CC=N1)C(C23CC4CC(C2)CC(C4)C3)O
InChI
InChI=1S/C15H22N2O/c1-17-13(2-3-16-17)14(18)15-7-10-4-11(8-15)6-12(5-10)9-15/h2-3,10-12,14,18H,4-9H2,1H3
InChIKey
LVPKFSSLNPSSEY-UHFFFAOYSA-N
Compound name
1-adamantyl-(2-methylpyrazol-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.17322 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.18050 157.3
[M+Na]+ 269.16244 159.9
[M-H]- 245.16594 152.0
[M+NH4]+ 264.20704 180.0
[M+K]+ 285.13638 155.7
[M+H-H2O]+ 229.17048 149.3
[M+HCOO]- 291.17142 161.4
[M+CH3COO]- 305.18707 164.9
[M+Na-2H]- 267.14789 164.2
[M]+ 246.17267 156.6
[M]- 246.17377 156.6
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.