CID 3072978

1-nonyl-2-methylimidazoline oxalate

Structural Information

Molecular Formula
C13H26N2
SMILES
CCCCCCCCCN1CCN=C1C
InChI
InChI=1S/C13H26N2/c1-3-4-5-6-7-8-9-11-15-12-10-14-13(15)2/h3-12H2,1-2H3
InChIKey
NNMCFQXDMFOABY-UHFFFAOYSA-N
Compound name
2-methyl-1-nonyl-4,5-dihydroimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.2096 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.21688 154.6
[M+Na]+ 233.19882 160.2
[M-H]- 209.20232 154.3
[M+NH4]+ 228.24342 172.9
[M+K]+ 249.17276 157.7
[M+H-H2O]+ 193.20686 146.7
[M+HCOO]- 255.20780 174.5
[M+CH3COO]- 269.22345 190.5
[M+Na-2H]- 231.18427 156.5
[M]+ 210.20905 156.7
[M]- 210.21015 156.7
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.