CID 11412348

(r)-2-hydroxypentanenitrile

Structural Information

Molecular Formula
C5H9NO
SMILES
CCC[C@H](C#N)O
InChI
InChI=1S/C5H9NO/c1-2-3-5(7)4-6/h5,7H,2-3H2,1H3/t5-/m1/s1
InChIKey
AANFRDGJHYLLAE-RXMQYKEDSA-N
Compound name
(2R)-2-hydroxypentanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

99.06841 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.07569 118.6
[M+Na]+ 122.05763 127.5
[M-H]- 98.061134 118.6
[M+NH4]+ 117.10223 139.2
[M+K]+ 138.03157 127.3
[M+H-H2O]+ 82.065670 108.2
[M+HCOO]- 144.06661 137.4
[M+CH3COO]- 158.08226 179.4
[M+Na-2H]- 120.04308 124.6
[M]+ 99.067861 113.7
[M]- 99.068959 113.7
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