CID 6789

84-83-3

Structural Information

Molecular Formula
C13H15NO
SMILES
CC1(C2=CC=CC=C2N(C1=CC=O)C)C
InChI
InChI=1S/C13H15NO/c1-13(2)10-6-4-5-7-11(10)14(3)12(13)8-9-15/h4-9H,1-3H3
InChIKey
GCECACVNILMTRD-UHFFFAOYSA-N
Compound name
2-(1,3,3-trimethylindol-2-ylidene)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

737
Patents

201.11537 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.122646 143.6
[M+Na]+ 224.104588 154.2
[M-H]- 200.108094 147.5
[M+NH4]+ 219.149193 167.2
[M+K]+ 240.078528 150.2
[M+H-H2O]+ 184.112630 138.2
[M+HCOO]- 246.113571 165.5
[M+CH3COO]- 260.129221 186.3
[M+Na-2H]- 222.090036 148.5
[M]+ 201.11482142 145.0
[M]- 201.11591858 145.0
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