CID 381108

12-azidododecanoic acid

Structural Information

Molecular Formula
C12H23N3O2
SMILES
C(CCCCCC(=O)O)CCCCCN=[N+]=[N-]
InChI
InChI=1S/C12H23N3O2/c13-15-14-11-9-7-5-3-1-2-4-6-8-10-12(16)17/h1-11H2,(H,16,17)
InChIKey
HYSGAVCDGKGYSZ-UHFFFAOYSA-N
Compound name
12-azidododecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

156
Patents

241.17903 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.18631 160.1
[M+Na]+ 264.16825 163.3
[M-H]- 240.17175 160.5
[M+NH4]+ 259.21285 177.0
[M+K]+ 280.14219 157.2
[M+H-H2O]+ 224.17629 157.7
[M+HCOO]- 286.17723 187.0
[M+CH3COO]- 300.19288 196.5
[M+Na-2H]- 262.15370 165.6
[M]+ 241.17848 161.1
[M]- 241.17958 161.1
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.