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]+ 246.123696 156.0
[M+Na]+ 268.105638 164.1
[M-H]- 244.109144 160.6
[M+NH4]+ 263.150243 169.8
[M+K]+ 284.079578 161.5
[M+H-H2O]+ 228.113680 148.0
[M+HCOO]- 290.114621 173.2
[M+CH3COO]- 304.130271 167.4
[M+Na-2H]- 266.091086 160.8
[M]+ 245.11587142 154.3
[M]- 245.11696858 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.