CID 97638952

12-azidododecylphosphonic acid

Structural Information

Molecular Formula
C12H26N3O3P
SMILES
C(CCCCCCP(=O)(O)O)CCCCCN=[N+]=[N-]
InChI
InChI=1S/C12H26N3O3P/c13-15-14-11-9-7-5-3-1-2-4-6-8-10-12-19(16,17)18/h1-12H2,(H2,16,17,18)
InChIKey
WHRLXOVKIALVOF-UHFFFAOYSA-N
Compound name
12-azidododecylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

291.17117 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.17845 172.0
[M+Na]+ 314.16039 174.8
[M-H]- 290.16389 202.1
[M+NH4]+ 309.20499 204.1
[M+K]+ 330.13433 168.0
[M+H-H2O]+ 274.16843 167.9
[M+HCOO]- 336.16937 223.6
[M+CH3COO]- 350.18502 202.1
[M+Na-2H]- 312.14584 177.1
[M]+ 291.17062 174.2
[M]- 291.17172 174.2
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

patents stripe