CID 136523

6-(dimethylamino)fulvene

Structural Information

Molecular Formula
C8H11N
SMILES
CN(C)C=C1C=CC=C1
InChI
InChI=1S/C8H11N/c1-9(2)7-8-5-3-4-6-8/h3-7H,1-2H3
InChIKey
UJXXVGXQTXQALL-UHFFFAOYSA-N
Compound name
1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

102
Patents

121.08915 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.09643 126.0
[M+Na]+ 144.07837 137.1
[M+NH4]+ 139.12297 135.6
[M+K]+ 160.05231 132.3
[M-H]- 120.08187 128.9
[M+Na-2H]- 142.06382 132.9
[M]+ 121.08860 128.3
[M]- 121.08970 128.3
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