CID 5368895

Cyclamidomycin

Structural Information

Molecular Formula
C7H10N2O
SMILES
C1CC(=NC1)/C=C/C(=O)N
InChI
InChI=1S/C7H10N2O/c8-7(10)4-3-6-2-1-5-9-6/h3-4H,1-2,5H2,(H2,8,10)/b4-3+
InChIKey
SJFPWBFXBOZGTB-ONEGZZNKSA-N
Compound name
(E)-3-(3,4-dihydro-2H-pyrrol-5-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

207
Patents

138.07932 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.08660 129.3
[M+Na]+ 161.06854 135.8
[M-H]- 137.07204 130.8
[M+NH4]+ 156.11314 150.5
[M+K]+ 177.04248 134.2
[M+H-H2O]+ 121.07658 122.8
[M+HCOO]- 183.07752 152.5
[M+CH3COO]- 197.09317 172.8
[M+Na-2H]- 159.05399 133.2
[M]+ 138.07877 125.7
[M]- 138.07987 125.7
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