CID 71758147

Potassium 1-cyano-5-methylhex-1-en-2-olate

Structural Information

Molecular Formula
C8H13NO
SMILES
CC(C)CC/C(=C/C#N)/O
InChI
InChI=1S/C8H13NO/c1-7(2)3-4-8(10)5-6-9/h5,7,10H,3-4H2,1-2H3/b8-5-
InChIKey
BLMFWUGXZGJNDX-YVMONPNESA-N
Compound name
(Z)-3-hydroxy-6-methylhept-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.09972 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 132.0
[M+Na]+ 162.088938 139.9
[M-H]- 138.092444 131.7
[M+NH4]+ 157.133543 151.1
[M+K]+ 178.062878 138.8
[M+H-H2O]+ 122.096980 121.2
[M+HCOO]- 184.097921 149.2
[M+CH3COO]- 198.113571 186.9
[M+Na-2H]- 160.074386 135.2
[M]+ 139.09917142 126.7
[M]- 139.10026858 126.7
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.