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

1
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

patents stripe