CID 7537584

(2-methyl-2h-indazol-3-yl)methanol

Structural Information

Molecular Formula
C9H10N2O
SMILES
CN1C(=C2C=CC=CC2=N1)CO
InChI
InChI=1S/C9H10N2O/c1-11-9(6-12)7-4-2-3-5-8(7)10-11/h2-5,12H,6H2,1H3
InChIKey
WJLMYXWHXCXTDR-UHFFFAOYSA-N
Compound name
(2-methylindazol-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

162.07932 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08660 131.3
[M+Na]+ 185.06854 142.7
[M-H]- 161.07204 132.9
[M+NH4]+ 180.11314 152.3
[M+K]+ 201.04248 139.3
[M+H-H2O]+ 145.07658 124.9
[M+HCOO]- 207.07752 154.2
[M+CH3COO]- 221.09317 145.7
[M+Na-2H]- 183.05399 139.2
[M]+ 162.07877 133.6
[M]- 162.07987 133.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe