CID 11970495

3-hydroxyheptadecanonitrile

Structural Information

Molecular Formula
C17H33NO
SMILES
CCCCCCCCCCCCCCC(CC#N)O
InChI
InChI=1S/C17H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18/h17,19H,2-15H2,1H3
InChIKey
BLGMYVKUAPVISO-UHFFFAOYSA-N
Compound name
3-hydroxyheptadecanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.25623 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.26351 165.7
[M+Na]+ 290.24545 170.2
[M-H]- 266.24895 163.7
[M+NH4]+ 285.29005 180.3
[M+K]+ 306.21939 167.0
[M+H-H2O]+ 250.25349 153.3
[M+HCOO]- 312.25443 181.0
[M+CH3COO]- 326.27008 211.8
[M+Na-2H]- 288.23090 166.1
[M]+ 267.25568 164.9
[M]- 267.25678 164.9
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

No patent data available for this compound.