CID 550070

59346-56-4

Structural Information

Molecular Formula
C8H15NO
SMILES
CC(C)C(C(C)(C)C#N)O
InChI
InChI=1S/C8H15NO/c1-6(2)7(10)8(3,4)5-9/h6-7,10H,1-4H3
InChIKey
YQUDZXMXULHYPN-UHFFFAOYSA-N
Compound name
3-hydroxy-2,2,4-trimethylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.11537 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 134.3
[M+Na]+ 164.10459 142.2
[M-H]- 140.10809 134.2
[M+NH4]+ 159.14919 153.4
[M+K]+ 180.07853 142.2
[M+H-H2O]+ 124.11263 124.0
[M+HCOO]- 186.11357 149.9
[M+CH3COO]- 200.12922 188.6
[M+Na-2H]- 162.09004 137.9
[M]+ 141.11482 129.2
[M]- 141.11592 129.2
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

No patent data available for this compound.