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

930
Patents

99.06841 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.075686 117.1
[M+Na]+ 122.057628 126.2
[M-H]- 98.061134 117.0
[M+NH4]+ 117.102233 137.8
[M+K]+ 138.031568 125.6
[M+H-H2O]+ 82.065670 106.7
[M+HCOO]- 144.066611 136.8
[M+CH3COO]- 158.082261 178.7
[M+Na-2H]- 120.043076 124.4
[M]+ 99.06786142 112.8
[M]- 99.06895858 112.8
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