CID 81952109

2172476-02-5

Structural Information

Molecular Formula
C9H15N3O
SMILES
CC1=C(N=CO1)CN2CCNCC2
InChI
InChI=1S/C9H15N3O/c1-8-9(11-7-13-8)6-12-4-2-10-3-5-12/h7,10H,2-6H2,1H3
InChIKey
ALMLRHBBDXINTB-UHFFFAOYSA-N
Compound name
5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.1215 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.12878 140.9
[M+Na]+ 204.11072 147.1
[M-H]- 180.11422 142.1
[M+NH4]+ 199.15532 156.3
[M+K]+ 220.08466 145.5
[M+H-H2O]+ 164.11876 132.3
[M+HCOO]- 226.11970 157.2
[M+CH3COO]- 240.13535 152.2
[M+Na-2H]- 202.09617 145.1
[M]+ 181.12095 136.8
[M]- 181.12205 136.8
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.