CID 87592747

4-methoxy-3-methylbutanenitrile

Structural Information

Molecular Formula
C6H11NO
SMILES
CC(CC#N)COC
InChI
InChI=1S/C6H11NO/c1-6(3-4-7)5-8-2/h6H,3,5H2,1-2H3
InChIKey
VRBJWDHAZDMZEG-UHFFFAOYSA-N
Compound name
4-methoxy-3-methylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

113.08406 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 120.9
[M+Na]+ 136.073278 129.8
[M-H]- 112.076784 121.9
[M+NH4]+ 131.117883 141.6
[M+K]+ 152.047218 130.1
[M+H-H2O]+ 96.081320 110.1
[M+HCOO]- 158.082261 140.7
[M+CH3COO]- 172.097911 184.6
[M+Na-2H]- 134.058726 127.0
[M]+ 113.08351142 118.0
[M]- 113.08460858 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

patents stripe