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
4
Annotation Hits

19
References

30933
Patents

201.17288 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.18016 151.8
[M+Na]+ 224.16210 155.6
[M-H]- 200.16560 149.1
[M+NH4]+ 219.20670 169.7
[M+K]+ 240.13604 153.5
[M+H-H2O]+ 184.17014 146.0
[M+HCOO]- 246.17108 172.5
[M+CH3COO]- 260.18673 187.7
[M+Na-2H]- 222.14755 153.5
[M]+ 201.17233 152.7
[M]- 201.17343 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