CID 170404

3-methyleneindolenine

Structural Information

Molecular Formula
C9H7N
SMILES
C=C1C=NC2=CC=CC=C12
InChI
InChI=1S/C9H7N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6H,1H2
InChIKey
BCNUXXXHEIUHJB-UHFFFAOYSA-N
Compound name
3-methylideneindole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

20
References

79
Patents

129.05785 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.065126 122.8
[M+Na]+ 152.047068 133.1
[M-H]- 128.050574 126.6
[M+NH4]+ 147.091673 146.7
[M+K]+ 168.021008 129.9
[M+H-H2O]+ 112.055110 117.1
[M+HCOO]- 174.056051 147.1
[M+CH3COO]- 188.071701 138.0
[M+Na-2H]- 150.032516 131.1
[M]+ 129.05730142 122.5
[M]- 129.05839858 122.5
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