CID 5352006

Tuberin

Structural Information

Molecular Formula
C10H11NO2
SMILES
COC1=CC=C(C=C1)/C=C/NC=O
InChI
InChI=1S/C10H11NO2/c1-13-10-4-2-9(3-5-10)6-7-11-8-12/h2-8H,1H3,(H,11,12)/b7-6+
InChIKey
SZCZSKMCTGEJKI-VOTSOKGWSA-N
Compound name
N-[(E)-2-(4-methoxyphenyl)ethenyl]formamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1972
References

2791
Patents

177.07898 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.086256 136.0
[M+Na]+ 200.068198 143.7
[M-H]- 176.071704 139.8
[M+NH4]+ 195.112803 156.0
[M+K]+ 216.042138 141.3
[M+H-H2O]+ 160.076240 129.9
[M+HCOO]- 222.077181 162.2
[M+CH3COO]- 236.092831 181.9
[M+Na-2H]- 198.053646 143.4
[M]+ 177.07843142 137.3
[M]- 177.07952858 137.3
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