CID 10887840

5-hydroxypentanenitrile

Structural Information

Molecular Formula
C5H9NO
SMILES
C(CCO)CC#N
InChI
InChI=1S/C5H9NO/c6-4-2-1-3-5-7/h7H,1-3,5H2
InChIKey
ISCJLIJIOFOWTR-UHFFFAOYSA-N
Compound name
5-hydroxypentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

493
Patents

99.06841 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.07569 119.5
[M+Na]+ 122.05763 129.6
[M+NH4]+ 117.10223 124.3
[M+K]+ 138.03157 121.2
[M-H]- 98.061134 112.0
[M+Na-2H]- 120.04308 121.6
[M]+ 99.067861 117.8
[M]- 99.068959 117.8
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