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

147
Patents

241.17903 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.186306 160.1
[M+Na]+ 264.168248 163.3
[M-H]- 240.171754 160.5
[M+NH4]+ 259.212853 177.0
[M+K]+ 280.142188 157.2
[M+H-H2O]+ 224.176290 157.7
[M+HCOO]- 286.177231 187.0
[M+CH3COO]- 300.192881 196.5
[M+Na-2H]- 262.153696 165.6
[M]+ 241.17848142 161.1
[M]- 241.17957858 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

literature stripe

Patent stripe

patents stripe