CID 18981597

120259-21-4

Structural Information

Molecular Formula
C11H13N3O2
SMILES
C1=CC=C(C=C1)OCCOC2=NNC(=C2)N
InChI
InChI=1S/C11H13N3O2/c12-10-8-11(14-13-10)16-7-6-15-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,12,13,14)
InChIKey
KZDSLMWXJMLBQJ-UHFFFAOYSA-N
Compound name
3-(2-phenoxyethoxy)-1H-pyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

219.10077 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.108046 145.9
[M+Na]+ 242.089988 153.1
[M-H]- 218.093494 148.3
[M+NH4]+ 237.134593 161.9
[M+K]+ 258.063928 149.6
[M+H-H2O]+ 202.098030 137.3
[M+HCOO]- 264.098971 168.8
[M+CH3COO]- 278.114621 185.2
[M+Na-2H]- 240.075436 151.4
[M]+ 219.10022142 145.3
[M]- 219.10131858 145.3
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

patents stripe