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

54
Patents

113.08406 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 122.9
[M+Na]+ 136.07328 132.3
[M-H]- 112.07678 124.2
[M+NH4]+ 131.11788 143.8
[M+K]+ 152.04722 132.8
[M+H-H2O]+ 96.081320 112.6
[M+HCOO]- 158.08226 142.2
[M+CH3COO]- 172.09791 184.1
[M+Na-2H]- 134.05873 130.4
[M]+ 113.08351 120.1
[M]- 113.08461 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