CID 82478951

[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1h-pyrazol-3-yl]methanamine

Structural Information

Molecular Formula
C13H15N3O2
SMILES
CC1=CC2=C(C=C1C3=NNC(=C3)CN)OCCO2
InChI
InChI=1S/C13H15N3O2/c1-8-4-12-13(18-3-2-17-12)6-10(8)11-5-9(7-14)15-16-11/h4-6H,2-3,7,14H2,1H3,(H,15,16)
InChIKey
XBOCUESJYMZORJ-UHFFFAOYSA-N
Compound name
[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-5-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.11642 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.12370 156.0
[M+Na]+ 268.10564 164.1
[M-H]- 244.10914 160.6
[M+NH4]+ 263.15024 169.8
[M+K]+ 284.07958 161.5
[M+H-H2O]+ 228.11368 148.0
[M+HCOO]- 290.11462 173.2
[M+CH3COO]- 304.13027 167.4
[M+Na-2H]- 266.09109 160.8
[M]+ 245.11587 154.3
[M]- 245.11697 154.3
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.