CID 4914503

2763758-68-3

Structural Information

Molecular Formula
C8H13N3O
SMILES
C1CN(CCN1)CC2=NOC=C2
InChI
InChI=1S/C8H13N3O/c1-6-12-10-8(1)7-11-4-2-9-3-5-11/h1,6,9H,2-5,7H2
InChIKey
VJMTXOUUYNPWLF-UHFFFAOYSA-N
Compound name
3-(piperazin-1-ylmethyl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

167.10587 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.113146 135.9
[M+Na]+ 190.095088 141.5
[M-H]- 166.098594 136.8
[M+NH4]+ 185.139693 151.4
[M+K]+ 206.069028 140.2
[M+H-H2O]+ 150.103130 127.1
[M+HCOO]- 212.104071 152.5
[M+CH3COO]- 226.119721 147.2
[M+Na-2H]- 188.080536 141.4
[M]+ 167.10532142 131.0
[M]- 167.10641858 131.0
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