CID 11789168

Pentanenitrile, 2-hydroxy-2-methyl-, (2s)-

Structural Information

Molecular Formula
C6H11NO
SMILES
CCC[C@@](C)(C#N)O
InChI
InChI=1S/C6H11NO/c1-3-4-6(2,8)5-7/h8H,3-4H2,1-2H3/t6-/m0/s1
InChIKey
DOTBWZRLSYDMSC-LURJTMIESA-N
Compound name
(2S)-2-hydroxy-2-methylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

113.08406 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 124.7
[M+Na]+ 136.07328 133.7
[M-H]- 112.07678 124.7
[M+NH4]+ 131.11788 144.9
[M+K]+ 152.04722 133.4
[M+H-H2O]+ 96.081320 114.6
[M+HCOO]- 158.08226 142.6
[M+CH3COO]- 172.09791 181.6
[M+Na-2H]- 134.05873 131.6
[M]+ 113.08351 120.1
[M]- 113.08461 120.1
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