CID 15187833

5-(benzyloxy)-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C10H11N3O
SMILES
C1=CC=C(C=C1)COC2=NNC(=C2)N
InChI
InChI=1S/C10H11N3O/c11-9-6-10(13-12-9)14-7-8-4-2-1-3-5-8/h1-6H,7H2,(H3,11,12,13)
InChIKey
DPMPAHAAODHNKV-UHFFFAOYSA-N
Compound name
3-phenylmethoxy-1H-pyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

189.09021 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.097486 138.7
[M+Na]+ 212.079428 146.6
[M-H]- 188.082934 141.3
[M+NH4]+ 207.124033 156.1
[M+K]+ 228.053368 142.8
[M+H-H2O]+ 172.087470 130.6
[M+HCOO]- 234.088411 161.8
[M+CH3COO]- 248.104061 151.3
[M+Na-2H]- 210.064876 144.8
[M]+ 189.08966142 136.5
[M]- 189.09075858 136.5
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