CID 121786

3-hydroxytridecanenitrile

Structural Information

Molecular Formula
C13H25NO
SMILES
CCCCCCCCCCC(CC#N)O
InChI
InChI=1S/C13H25NO/c1-2-3-4-5-6-7-8-9-10-13(15)11-12-14/h13,15H,2-11H2,1H3
InChIKey
BMSKXVOVAICYGJ-UHFFFAOYSA-N
Compound name
3-hydroxytridecanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

211.19362 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.200896 150.3
[M+Na]+ 234.182838 156.2
[M-H]- 210.186344 148.9
[M+NH4]+ 229.227443 166.9
[M+K]+ 250.156778 154.0
[M+H-H2O]+ 194.190880 138.5
[M+HCOO]- 256.191821 166.7
[M+CH3COO]- 270.207471 201.1
[M+Na-2H]- 232.168286 152.5
[M]+ 211.19307142 148.1
[M]- 211.19416858 148.1
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

patents stripe