CID 121787

3-hydroxynonadecanenitrile

Structural Information

Molecular Formula
C19H37NO
SMILES
CCCCCCCCCCCCCCCCC(CC#N)O
InChI
InChI=1S/C19H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(21)17-18-20/h19,21H,2-17H2,1H3
InChIKey
OAKBFDJZWOPGMA-UHFFFAOYSA-N
Compound name
3-hydroxynonadecanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

295.2875 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.294776 173.3
[M+Na]+ 318.276718 177.1
[M-H]- 294.280224 171.0
[M+NH4]+ 313.321323 186.9
[M+K]+ 334.250658 173.4
[M+H-H2O]+ 278.284760 160.5
[M+HCOO]- 340.285701 188.1
[M+CH3COO]- 354.301351 217.1
[M+Na-2H]- 316.262166 172.8
[M]+ 295.28695142 173.2
[M]- 295.28804858 173.2
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