CID 20553

2-hydroxybutanenitrile

Structural Information

Molecular Formula
C4H7NO
SMILES
CCC(C#N)O
InChI
InChI=1S/C4H7NO/c1-2-4(6)3-5/h4,6H,2H2,1H3
InChIKey
NHSSTOSZJANVEV-UHFFFAOYSA-N
Compound name
2-hydroxybutanenitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

622
Patents

85.052765 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 86.060041 114.6
[M+Na]+ 108.04198 123.9
[M-H]- 84.045489 114.7
[M+NH4]+ 103.08659 135.7
[M+K]+ 124.01592 123.9
[M+H-H2O]+ 68.050025 104.4
[M+HCOO]- 130.05097 133.7
[M+CH3COO]- 144.06662 176.7
[M+Na-2H]- 106.02743 121.0
[M]+ 85.052216 109.3
[M]- 85.053314 109.3
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

patents stripe