CID 9548611

Gyromitrin

Structural Information

Molecular Formula
C4H8N2O
SMILES
C/C=N/N(C)C=O
InChI
InChI=1S/C4H8N2O/c1-3-5-6(2)4-7/h3-4H,1-2H3/b5-3+
InChIKey
IMAGWKUTFZRWSB-HWKANZROSA-N
Compound name
N-[(E)-ethylideneamino]-N-methylformamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

25
References

87
Patents

100.06366 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.07094 117.1
[M+Na]+ 123.05288 124.7
[M-H]- 99.056384 120.7
[M+NH4]+ 118.09748 141.2
[M+K]+ 139.02682 126.5
[M+H-H2O]+ 83.060920 111.9
[M+HCOO]- 145.06186 146.2
[M+CH3COO]- 159.07751 176.4
[M+Na-2H]- 121.03833 125.5
[M]+ 100.06311 119.2
[M]- 100.06421 119.2
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