CID 10290767

(2s)-2-hydroxyhexanenitrile

Structural Information

Molecular Formula
C6H11NO
SMILES
CCCC[C@@H](C#N)O
InChI
InChI=1S/C6H11NO/c1-2-3-4-6(8)5-7/h6,8H,2-4H2,1H3/t6-/m0/s1
InChIKey
VKIGAWAEXPTIOL-LURJTMIESA-N
Compound name
(2S)-2-hydroxyhexanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

113.08406 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 122.6
[M+Na]+ 136.07328 131.2
[M-H]- 112.07678 122.4
[M+NH4]+ 131.11788 142.7
[M+K]+ 152.04722 130.7
[M+H-H2O]+ 96.081320 112.0
[M+HCOO]- 158.08226 141.1
[M+CH3COO]- 172.09791 182.1
[M+Na-2H]- 134.05873 128.1
[M]+ 113.08351 118.0
[M]- 113.08461 118.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.