CID 10909491

Chebi:197357

Structural Information

Molecular Formula
C5H7NO
SMILES
C/C=C/[C@@H](C#N)O
InChI
InChI=1S/C5H7NO/c1-2-3-5(7)4-6/h2-3,5,7H,1H3/b3-2+/t5-/m0/s1
InChIKey
AKXFVHOXDAJSMM-HRJJCQLASA-N
Compound name
(E,2S)-2-hydroxypent-3-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

97.052765 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.060041 119.9
[M+Na]+ 120.04198 129.8
[M+NH4]+ 115.08659 124.3
[M+K]+ 136.01592 121.9
[M-H]- 96.045489 112.0
[M+Na-2H]- 118.02743 121.5
[M]+ 97.052216 118.0
[M]- 97.053314 118.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.