CID 94040

58413-04-0

Structural Information

Molecular Formula
C14H16N2O
SMILES
COC1=CC=C(C=C1)C2=NNC3=C2CCCC3
InChI
InChI=1S/C14H16N2O/c1-17-11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)15-16-14/h6-9H,2-5H2,1H3,(H,15,16)
InChIKey
SKKOHZJNXZCTFG-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

228.12627 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.133546 151.7
[M+Na]+ 251.115488 159.0
[M-H]- 227.118994 155.0
[M+NH4]+ 246.160093 169.1
[M+K]+ 267.089428 154.3
[M+H-H2O]+ 211.123530 143.4
[M+HCOO]- 273.124471 169.9
[M+CH3COO]- 287.140121 163.2
[M+Na-2H]- 249.100936 156.1
[M]+ 228.12572142 148.8
[M]- 228.12681858 148.8
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

patents stripe