CID 460738

127692-23-3

Structural Information

Molecular Formula
C13H21N3O3
SMILES
CCCCCCCC1(CN2C=C(N=C2O1)[N+](=O)[O-])C
InChI
InChI=1S/C13H21N3O3/c1-3-4-5-6-7-8-13(2)10-15-9-11(16(17)18)14-12(15)19-13/h9H,3-8,10H2,1-2H3
InChIKey
JXCLKRBKNMVJIW-UHFFFAOYSA-N
Compound name
2-heptyl-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

267.1583 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.16558 162.9
[M+Na]+ 290.14752 169.8
[M-H]- 266.15102 165.4
[M+NH4]+ 285.19212 181.3
[M+K]+ 306.12146 164.6
[M+H-H2O]+ 250.15556 161.0
[M+HCOO]- 312.15650 183.8
[M+CH3COO]- 326.17215 192.2
[M+Na-2H]- 288.13297 168.7
[M]+ 267.15775 165.6
[M]- 267.15885 165.6
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