CID 132343993

[2-(1-methyl-1h-pyrazol-4-yl)oxolan-2-yl]methanamine

Structural Information

Molecular Formula
C9H15N3O
SMILES
CN1C=C(C=N1)C2(CCCO2)CN
InChI
InChI=1S/C9H15N3O/c1-12-6-8(5-11-12)9(7-10)3-2-4-13-9/h5-6H,2-4,7,10H2,1H3
InChIKey
YPJOOPMYFLEHFQ-UHFFFAOYSA-N
Compound name
[2-(1-methylpyrazol-4-yl)oxolan-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.1215 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.12878 137.6
[M+Na]+ 204.11072 145.1
[M-H]- 180.11422 142.0
[M+NH4]+ 199.15532 158.4
[M+K]+ 220.08466 144.5
[M+H-H2O]+ 164.11876 130.6
[M+HCOO]- 226.11970 159.4
[M+CH3COO]- 240.13535 180.2
[M+Na-2H]- 202.09617 141.9
[M]+ 181.12095 135.7
[M]- 181.12205 135.7
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.