CID 390376

Nsc687718

Structural Information

Molecular Formula
C11H17N3O4
SMILES
CCOCCOCCOCC1=NC(=C(O1)N)C#N
InChI
InChI=1S/C11H17N3O4/c1-2-15-3-4-16-5-6-17-8-10-14-9(7-12)11(13)18-10/h2-6,8,13H2,1H3
InChIKey
LXAKOKGNJFNYQP-UHFFFAOYSA-N
Compound name
5-amino-2-[2-(2-ethoxyethoxy)ethoxymethyl]-1,3-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.1219 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.12918 149.3
[M+Na]+ 278.11112 157.8
[M-H]- 254.11462 150.7
[M+NH4]+ 273.15572 163.2
[M+K]+ 294.08506 157.7
[M+H-H2O]+ 238.11916 134.8
[M+HCOO]- 300.12010 169.1
[M+CH3COO]- 314.13575 206.8
[M+Na-2H]- 276.09657 153.3
[M]+ 255.12135 150.4
[M]- 255.12245 150.4
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.