CID 81346017

3-[(1,3-dimethyl-1h-pyrazol-5-yl)oxy]propan-1-amine

Structural Information

Molecular Formula
C8H15N3O
SMILES
CC1=NN(C(=C1)OCCCN)C
InChI
InChI=1S/C8H15N3O/c1-7-6-8(11(2)10-7)12-5-3-4-9/h6H,3-5,9H2,1-2H3
InChIKey
RAOQMNAYDHVOTA-UHFFFAOYSA-N
Compound name
3-(2,5-dimethylpyrazol-3-yl)oxypropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.1215 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.12878 136.9
[M+Na]+ 192.11072 145.7
[M-H]- 168.11422 137.8
[M+NH4]+ 187.15532 156.6
[M+K]+ 208.08466 144.1
[M+H-H2O]+ 152.11876 129.7
[M+HCOO]- 214.11970 160.6
[M+CH3COO]- 228.13535 182.2
[M+Na-2H]- 190.09617 141.2
[M]+ 169.12095 138.6
[M]- 169.12205 138.6
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.