CID 12578534

2-methoxy-2-methylpropanenitrile

Structural Information

Molecular Formula
C5H9NO
SMILES
CC(C)(C#N)OC
InChI
InChI=1S/C5H9NO/c1-5(2,4-6)7-3/h1-3H3
InChIKey
GREBWGAVFUQVPM-UHFFFAOYSA-N
Compound name
2-methoxy-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

99.06841 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.07569 118.8
[M+Na]+ 122.05763 128.6
[M-H]- 98.061134 120.3
[M+NH4]+ 117.10223 140.2
[M+K]+ 138.03157 129.3
[M+H-H2O]+ 82.065670 108.7
[M+HCOO]- 144.06661 138.4
[M+CH3COO]- 158.08226 181.4
[M+Na-2H]- 120.04308 126.9
[M]+ 99.067861 115.7
[M]- 99.068959 115.7
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