CID 1096902

956193-08-1

Structural Information

Molecular Formula
C9H11N3O
SMILES
CC1=CC=C(O1)CN2C(=CC=N2)N
InChI
InChI=1S/C9H11N3O/c1-7-2-3-8(13-7)6-12-9(10)4-5-11-12/h2-5H,6,10H2,1H3
InChIKey
RZODKTCDAKNWFY-UHFFFAOYSA-N
Compound name
2-[(5-methylfuran-2-yl)methyl]pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.09021 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.09749 134.5
[M+Na]+ 200.07943 145.2
[M-H]- 176.08293 140.2
[M+NH4]+ 195.12403 154.1
[M+K]+ 216.05337 143.7
[M+H-H2O]+ 160.08747 127.3
[M+HCOO]- 222.08841 160.7
[M+CH3COO]- 236.10406 149.4
[M+Na-2H]- 198.06488 139.8
[M]+ 177.08966 137.1
[M]- 177.09076 137.1
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.