CID 165945277

1-(2h-indazol-2-yl)butan-2-ol

Structural Information

Molecular Formula
C11H14N2O
SMILES
CCC(CN1C=C2C=CC=CC2=N1)O
InChI
InChI=1S/C11H14N2O/c1-2-10(14)8-13-7-9-5-3-4-6-11(9)12-13/h3-7,10,14H,2,8H2,1H3
InChIKey
XBZZCCIKMUUPJM-UHFFFAOYSA-N
Compound name
1-indazol-2-ylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.11061 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.11789 141.2
[M+Na]+ 213.09983 150.4
[M-H]- 189.10333 142.1
[M+NH4]+ 208.14443 160.6
[M+K]+ 229.07377 147.0
[M+H-H2O]+ 173.10787 134.2
[M+HCOO]- 235.10881 162.3
[M+CH3COO]- 249.12446 181.2
[M+Na-2H]- 211.08528 147.5
[M]+ 190.11006 143.2
[M]- 190.11116 143.2
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.