CID 10878173

9-(oxiran-2-yl)nonanoic acid

Structural Information

Molecular Formula
C11H20O3
SMILES
C1C(O1)CCCCCCCCC(=O)O
InChI
InChI=1S/C11H20O3/c12-11(13)8-6-4-2-1-3-5-7-10-9-14-10/h10H,1-9H2,(H,12,13)
InChIKey
LICWDODMDFJCCC-UHFFFAOYSA-N
Compound name
9-(oxiran-2-yl)nonanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

71
Patents

200.14125 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.148526 147.3
[M+Na]+ 223.130468 154.2
[M-H]- 199.133974 150.5
[M+NH4]+ 218.175073 159.9
[M+K]+ 239.104408 152.5
[M+H-H2O]+ 183.138510 140.7
[M+HCOO]- 245.139451 167.3
[M+CH3COO]- 259.155101 187.0
[M+Na-2H]- 221.115916 151.8
[M]+ 200.14070142 153.4
[M]- 200.14179858 153.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe