CID 178199937

2923843-45-0

Structural Information

Molecular Formula
C9H14N2O
SMILES
CN1C2=C(CCCC2CO)C=N1
InChI
InChI=1S/C9H14N2O/c1-11-9-7(5-10-11)3-2-4-8(9)6-12/h5,8,12H,2-4,6H2,1H3
InChIKey
VLZHFJZRFUICMH-UHFFFAOYSA-N
Compound name
(1-methyl-4,5,6,7-tetrahydroindazol-7-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.11061 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.117886 136.3
[M+Na]+ 189.099828 144.5
[M-H]- 165.103334 136.7
[M+NH4]+ 184.144433 156.7
[M+K]+ 205.073768 141.8
[M+H-H2O]+ 149.107870 129.7
[M+HCOO]- 211.108811 154.7
[M+CH3COO]- 225.124461 176.4
[M+Na-2H]- 187.085276 141.1
[M]+ 166.11006142 134.2
[M]- 166.11115858 134.2
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.