CID 220705

4-hydroxybutanenitrile

Structural Information

Molecular Formula
C4H7NO
SMILES
C(CC#N)CO
InChI
InChI=1S/C4H7NO/c5-3-1-2-4-6/h6H,1-2,4H2
InChIKey
BAQQRABCRRQRSR-UHFFFAOYSA-N
Compound name
4-hydroxybutanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

22
References

2262
Patents

85.052765 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 86.060041 113.1
[M+Na]+ 108.04198 122.6
[M-H]- 84.045489 113.2
[M+NH4]+ 103.08659 134.3
[M+K]+ 124.01592 122.3
[M+H-H2O]+ 68.050025 102.9
[M+HCOO]- 130.05097 133.1
[M+CH3COO]- 144.06662 175.9
[M+Na-2H]- 106.02743 120.9
[M]+ 85.052216 108.5
[M]- 85.053314 108.5
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