CID 116675

70682-69-8

Structural Information

Molecular Formula
C16H30N2O3
SMILES
CCCCCCCC1=NCCN1CCOCC(C)C(=O)O
InChI
InChI=1S/C16H30N2O3/c1-3-4-5-6-7-8-15-17-9-10-18(15)11-12-21-13-14(2)16(19)20/h14H,3-13H2,1-2H3,(H,19,20)
InChIKey
VLNZLXQGDKFPBT-UHFFFAOYSA-N
Compound name
3-[2-(2-heptyl-4,5-dihydroimidazol-1-yl)ethoxy]-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.22565 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.23293 176.9
[M+Na]+ 321.21487 180.2
[M-H]- 297.21837 174.9
[M+NH4]+ 316.25947 190.4
[M+K]+ 337.18881 177.9
[M+H-H2O]+ 281.22291 168.5
[M+HCOO]- 343.22385 193.1
[M+CH3COO]- 357.23950 203.4
[M+Na-2H]- 319.20032 174.4
[M]+ 298.22510 180.4
[M]- 298.22620 180.4
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.