CID 4071244

16694-44-3

Structural Information

Molecular Formula
C4H9NO
SMILES
CC(C)OC=N
InChI
InChI=1S/C4H9NO/c1-4(2)6-3-5/h3-5H,1-2H3
InChIKey
WTUJMUAZXUEIEM-UHFFFAOYSA-N
Compound name
propan-2-yl methanimidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

87.06841 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 88.075686 115.7
[M+Na]+ 110.05763 123.0
[M-H]- 86.061134 116.4
[M+NH4]+ 105.10223 139.3
[M+K]+ 126.03157 123.6
[M+H-H2O]+ 70.065670 111.4
[M+HCOO]- 132.06661 140.6
[M+CH3COO]- 146.08226 167.7
[M+Na-2H]- 108.04308 122.9
[M]+ 87.067861 115.5
[M]- 87.068959 115.5
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