CID 11062484

Schembl3991712

Structural Information

Molecular Formula
C8H15NO
SMILES
CCCCC[C@@](C)(C#N)O
InChI
InChI=1S/C8H15NO/c1-3-4-5-6-8(2,10)7-9/h10H,3-6H2,1-2H3/t8-/m0/s1
InChIKey
QAXOKMZVYDLXEW-QMMMGPOBSA-N
Compound name
(2S)-2-hydroxy-2-methylheptanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

141.11537 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 132.6
[M+Na]+ 164.10459 141.0
[M-H]- 140.10809 132.4
[M+NH4]+ 159.14919 151.9
[M+K]+ 180.07853 140.1
[M+H-H2O]+ 124.11263 122.2
[M+HCOO]- 186.11357 150.0
[M+CH3COO]- 200.12922 187.1
[M+Na-2H]- 162.09004 138.7
[M]+ 141.11482 128.8
[M]- 141.11592 128.8
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

patents stripe