CID 93008

5652-84-6

Structural Information

Molecular Formula
C4H6N2O
SMILES
CC(=NC#N)OC
InChI
InChI=1S/C4H6N2O/c1-4(7-2)6-3-5/h1-2H3
InChIKey
LILTZUFNZDRURN-UHFFFAOYSA-N
Compound name
methyl N-cyanoethanimidate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

137
Patents

98.04801 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.055286 116.7
[M+Na]+ 121.037228 126.1
[M-H]- 97.040734 119.1
[M+NH4]+ 116.081833 138.2
[M+K]+ 137.011168 127.3
[M+H-H2O]+ 81.045270 105.4
[M+HCOO]- 143.046211 139.3
[M+CH3COO]- 157.061861 183.8
[M+Na-2H]- 119.022676 124.1
[M]+ 98.04746142 113.2
[M]- 98.04855858 113.2
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