CID 13531384

3-methoxy-2,2-dimethylpropanenitrile

Structural Information

Molecular Formula
C6H11NO
SMILES
CC(C)(COC)C#N
InChI
InChI=1S/C6H11NO/c1-6(2,4-7)5-8-3/h5H2,1-3H3
InChIKey
CEMLHCYKDRPMSS-UHFFFAOYSA-N
Compound name
3-methoxy-2,2-dimethylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

113.08406 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 122.9
[M+Na]+ 136.073278 132.3
[M-H]- 112.076784 124.2
[M+NH4]+ 131.117883 143.8
[M+K]+ 152.047218 132.8
[M+H-H2O]+ 96.081320 112.6
[M+HCOO]- 158.082261 142.2
[M+CH3COO]- 172.097911 184.1
[M+Na-2H]- 134.058726 130.4
[M]+ 113.08351142 120.1
[M]- 113.08460858 120.1
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