CID 12490359

2241145-53-7

Structural Information

Molecular Formula
C6H9NO
SMILES
CCC/C(=C/C#N)/O
InChI
InChI=1S/C6H9NO/c1-2-3-6(8)4-5-7/h4,8H,2-3H2,1H3/b6-4-
InChIKey
GKFWLOJCVPZAFR-XQRVVYSFSA-N
Compound name
(Z)-3-hydroxyhex-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

111.06841 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.075686 122.8
[M+Na]+ 134.057628 131.6
[M-H]- 110.061134 122.6
[M+NH4]+ 129.102233 142.9
[M+K]+ 150.031568 130.6
[M+H-H2O]+ 94.065670 112.2
[M+HCOO]- 156.066611 141.4
[M+CH3COO]- 170.082261 180.7
[M+Na-2H]- 132.043076 128.2
[M]+ 111.06786142 117.4
[M]- 111.06895858 117.4
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

patents stripe