CID 44118233

1053655-59-6

Structural Information

Molecular Formula
C12H15N3O
SMILES
C1CCOC(C1)N2C3=C(C=CC(=C3)N)C=N2
InChI
InChI=1S/C12H15N3O/c13-10-5-4-9-8-14-15(11(9)7-10)12-3-1-2-6-16-12/h4-5,7-8,12H,1-3,6,13H2
InChIKey
BVMGAUOJVUEFSV-UHFFFAOYSA-N
Compound name
1-(oxan-2-yl)indazol-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

160
Patents

217.1215 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.12878 146.4
[M+Na]+ 240.11072 154.4
[M-H]- 216.11422 151.5
[M+NH4]+ 235.15532 163.1
[M+K]+ 256.08466 151.4
[M+H-H2O]+ 200.11876 138.0
[M+HCOO]- 262.11970 166.3
[M+CH3COO]- 276.13535 158.7
[M+Na-2H]- 238.09617 152.4
[M]+ 217.12095 143.7
[M]- 217.12205 143.7
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