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

76
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

literature stripe

Patent stripe

patents stripe