CID 17083

11-aminoundecanoic acid

Structural Information

Molecular Formula
C11H23NO2
SMILES
C(CCCCCN)CCCCC(=O)O
InChI
InChI=1S/C11H23NO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10,12H2,(H,13,14)
InChIKey
GUOSQNAUYHMCRU-UHFFFAOYSA-N
Compound name
11-aminoundecanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

19
References

30816
Patents

201.17288 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.180156 151.8
[M+Na]+ 224.162098 155.6
[M-H]- 200.165604 149.1
[M+NH4]+ 219.206703 169.7
[M+K]+ 240.136038 153.5
[M+H-H2O]+ 184.170140 146.0
[M+HCOO]- 246.171081 172.5
[M+CH3COO]- 260.186731 187.7
[M+Na-2H]- 222.147546 153.5
[M]+ 201.17233142 152.7
[M]- 201.17342858 152.7
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