CID 154852581

2445794-18-1

Structural Information

Molecular Formula
C8H12N2O2
SMILES
COCC1=NC2=C(O1)CCNC2
InChI
InChI=1S/C8H12N2O2/c1-11-5-8-10-6-4-9-3-2-7(6)12-8/h9H,2-5H2,1H3
InChIKey
CPHXEVNNDRQRPL-UHFFFAOYSA-N
Compound name
2-(methoxymethyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.08987 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09715 134.1
[M+Na]+ 191.07909 141.8
[M-H]- 167.08259 134.8
[M+NH4]+ 186.12369 152.8
[M+K]+ 207.05303 140.8
[M+H-H2O]+ 151.08713 127.3
[M+HCOO]- 213.08807 152.2
[M+CH3COO]- 227.10372 174.3
[M+Na-2H]- 189.06454 140.9
[M]+ 168.08932 133.3
[M]- 168.09042 133.3
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.