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]+ 202.12265 145.4
[M+Na]+ 224.10459 155.9
[M-H]- 200.10809 148.3
[M+NH4]+ 219.14919 166.3
[M+K]+ 240.07853 151.5
[M+H-H2O]+ 184.11263 140.1
[M+HCOO]- 246.11357 166.9
[M+CH3COO]- 260.12922 183.6
[M+Na-2H]- 222.09004 152.0
[M]+ 201.11482 147.4
[M]- 201.11592 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.