CID 454093

13-azido-tridecanoic acid

Structural Information

Molecular Formula
C13H25N3O2
SMILES
C(CCCCCCN=[N+]=[N-])CCCCCC(=O)O
InChI
InChI=1S/C13H25N3O2/c14-16-15-12-10-8-6-4-2-1-3-5-7-9-11-13(17)18/h1-12H2,(H,17,18)
InChIKey
QGHYXKXWBVOVGJ-UHFFFAOYSA-N
Compound name
13-azidotridecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

255.19467 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.20195 164.7
[M+Na]+ 278.18389 167.5
[M-H]- 254.18739 165.0
[M+NH4]+ 273.22849 181.1
[M+K]+ 294.15783 161.1
[M+H-H2O]+ 238.19193 162.1
[M+HCOO]- 300.19287 191.3
[M+CH3COO]- 314.20852 199.5
[M+Na-2H]- 276.16934 169.7
[M]+ 255.19412 166.1
[M]- 255.19522 166.1
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