CID 454094

11-azidoundecanoic acid

Structural Information

Molecular Formula
C11H21N3O2
SMILES
C(CCCCCN=[N+]=[N-])CCCCC(=O)O
InChI
InChI=1S/C11H21N3O2/c12-14-13-10-8-6-4-2-1-3-5-7-9-11(15)16/h1-10H2,(H,15,16)
InChIKey
LXAVFOAOGZWQKT-UHFFFAOYSA-N
Compound name
11-azidoundecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

84
Patents

227.16338 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.17066 155.5
[M+Na]+ 250.15260 159.1
[M-H]- 226.15610 156.1
[M+NH4]+ 245.19720 172.9
[M+K]+ 266.12654 153.2
[M+H-H2O]+ 210.16064 153.3
[M+HCOO]- 272.16158 182.7
[M+CH3COO]- 286.17723 193.4
[M+Na-2H]- 248.13805 161.5
[M]+ 227.16283 156.1
[M]- 227.16393 156.1
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.