CID 6445332

2,4-hexadienoxypropionitrile

Structural Information

Molecular Formula
C9H13NO
SMILES
C/C=C/C=C/COCCC#N
InChI
InChI=1S/C9H13NO/c1-2-3-4-5-8-11-9-6-7-10/h2-5H,6,8-9H2,1H3/b3-2+,5-4+
InChIKey
QPIHOZAXVGTXPL-MQQKCMAXSA-N
Compound name
3-[(2E,4E)-hexa-2,4-dienoxy]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.09972 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 131.5
[M+Na]+ 174.08894 140.3
[M-H]- 150.09244 132.2
[M+NH4]+ 169.13354 151.0
[M+K]+ 190.06288 138.3
[M+H-H2O]+ 134.09698 120.3
[M+HCOO]- 196.09792 151.8
[M+CH3COO]- 210.11357 189.1
[M+Na-2H]- 172.07439 137.3
[M]+ 151.09917 128.9
[M]- 151.10027 128.9
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.