CID 82491496

1369055-82-2

Structural Information

Molecular Formula
C13H15NO
SMILES
CC(C)(C)C1=CC2=C(C=C1)NC=C2C=O
InChI
InChI=1S/C13H15NO/c1-13(2,3)10-4-5-12-11(6-10)9(8-15)7-14-12/h4-8,14H,1-3H3
InChIKey
HTONYGNSUGDWPU-UHFFFAOYSA-N
Compound name
5-tert-butyl-1H-indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.11537 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.122646 145.4
[M+Na]+ 224.104588 155.9
[M-H]- 200.108094 148.3
[M+NH4]+ 219.149193 166.3
[M+K]+ 240.078528 151.5
[M+H-H2O]+ 184.112630 140.1
[M+HCOO]- 246.113571 166.9
[M+CH3COO]- 260.129221 183.6
[M+Na-2H]- 222.090036 152.0
[M]+ 201.11482142 147.4
[M]- 201.11591858 147.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.