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]+ 174.12773 137.7
[M+Na]+ 196.10967 147.5
[M-H]- 172.11317 140.3
[M+NH4]+ 191.15427 159.6
[M+K]+ 212.08361 143.5
[M+H-H2O]+ 156.11771 132.0
[M+HCOO]- 218.11865 159.6
[M+CH3COO]- 232.13430 180.6
[M+Na-2H]- 194.09512 142.9
[M]+ 173.11990 138.5
[M]- 173.12100 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