CID 171119203

Albanitrile e

Structural Information

Molecular Formula
C17H21NO
SMILES
C(CCCO)CCC#CC#CC#CCCCCC#N
InChI
InChI=1S/C17H21NO/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19/h19H,7-15,17H2
InChIKey
YVXQECMGQRXCRW-UHFFFAOYSA-N
Compound name
17-hydroxyheptadeca-6,8,10-triynenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.16231 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.16959 163.5
[M+Na]+ 278.15153 168.4
[M-H]- 254.15503 166.8
[M+NH4]+ 273.19613 167.3
[M+K]+ 294.12547 165.8
[M+H-H2O]+ 238.15957 156.0
[M+HCOO]- 300.16051 163.9
[M+CH3COO]- 314.17616 245.3
[M+Na-2H]- 276.13698 160.8
[M]+ 255.16176 158.9
[M]- 255.16286 158.9
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.