CID 15956512

Schembl14004055

Structural Information

Molecular Formula
C11H17N3O3
SMILES
CCCCCC1(CN2C=C(N=C2O1)[N+](=O)[O-])C
InChI
InChI=1S/C11H17N3O3/c1-3-4-5-6-11(2)8-13-7-9(14(15)16)12-10(13)17-11/h7H,3-6,8H2,1-2H3
InChIKey
WXXUMVNGCRJCSP-UHFFFAOYSA-N
Compound name
2-methyl-6-nitro-2-pentyl-3H-imidazo[2,1-b][1,3]oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

239.127 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.13428 153.4
[M+Na]+ 262.11622 161.1
[M-H]- 238.11972 156.2
[M+NH4]+ 257.16082 172.9
[M+K]+ 278.09016 156.4
[M+H-H2O]+ 222.12426 151.9
[M+HCOO]- 284.12520 174.9
[M+CH3COO]- 298.14085 186.2
[M+Na-2H]- 260.10167 160.2
[M]+ 239.12645 155.4
[M]- 239.12755 155.4
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.