CID 454100

13(2tetrazol)tridec acid

Structural Information

Molecular Formula
C14H26N4O2
SMILES
C1=NN(N=N1)CCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C14H26N4O2/c19-14(20)11-9-7-5-3-1-2-4-6-8-10-12-18-16-13-15-17-18/h13H,1-12H2,(H,19,20)
InChIKey
OKNIAIJEKWEQDL-UHFFFAOYSA-N
Compound name
13-(tetrazol-2-yl)tridecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

282.20557 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.21285 170.3
[M+Na]+ 305.19479 174.9
[M-H]- 281.19829 165.8
[M+NH4]+ 300.23939 181.6
[M+K]+ 321.16873 171.7
[M+H-H2O]+ 265.20283 160.1
[M+HCOO]- 327.20377 186.8
[M+CH3COO]- 341.21942 198.7
[M+Na-2H]- 303.18024 171.7
[M]+ 282.20502 174.3
[M]- 282.20612 174.3
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