CID 23401179

2-methyl-5-(propan-2-yl)-1h-indole

Structural Information

Molecular Formula
C12H15N
SMILES
CC1=CC2=C(N1)C=CC(=C2)C(C)C
InChI
InChI=1S/C12H15N/c1-8(2)10-4-5-12-11(7-10)6-9(3)13-12/h4-8,13H,1-3H3
InChIKey
ZZABNZLLIORENK-UHFFFAOYSA-N
Compound name
2-methyl-5-propan-2-yl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

173.12045 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.127726 137.7
[M+Na]+ 196.109668 147.5
[M-H]- 172.113174 140.3
[M+NH4]+ 191.154273 159.6
[M+K]+ 212.083608 143.5
[M+H-H2O]+ 156.117710 132.0
[M+HCOO]- 218.118651 159.6
[M+CH3COO]- 232.134301 180.6
[M+Na-2H]- 194.095116 142.9
[M]+ 173.11990142 138.5
[M]- 173.12099858 138.5
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

patents stripe