CID 2760965

2-(tert-butyl)-1h-indole-3-carbaldehyde

Structural Information

Molecular Formula
C13H15NO
SMILES
CC(C)(C)C1=C(C2=CC=CC=C2N1)C=O
InChI
InChI=1S/C13H15NO/c1-13(2,3)12-10(8-15)9-6-4-5-7-11(9)14-12/h4-8,14H,1-3H3
InChIKey
HKBWAYDAIZSXQS-UHFFFAOYSA-N
Compound name
2-tert-butyl-1H-indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

201.11537 Da
Monoisotopic Mass

3.2
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

literature stripe

Patent stripe

patents stripe