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]+ 140.10700 132.0
[M+Na]+ 162.08894 139.9
[M-H]- 138.09244 131.7
[M+NH4]+ 157.13354 151.1
[M+K]+ 178.06288 138.8
[M+H-H2O]+ 122.09698 121.2
[M+HCOO]- 184.09792 149.2
[M+CH3COO]- 198.11357 186.9
[M+Na-2H]- 160.07439 135.2
[M]+ 139.09917 126.7
[M]- 139.10027 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.