CID 24756409

1h-indol-3-yl(2,2,3,3-tetramethylcyclopropyl)methanone

Structural Information

Molecular Formula
C16H19NO
SMILES
CC1(C(C1(C)C)C(=O)C2=CNC3=CC=CC=C32)C
InChI
InChI=1S/C16H19NO/c1-15(2)14(16(15,3)4)13(18)11-9-17-12-8-6-5-7-10(11)12/h5-9,14,17H,1-4H3
InChIKey
WYZQBEQQQKCTHM-UHFFFAOYSA-N
Compound name
1H-indol-3-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

241.14667 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.153946 154.9
[M+Na]+ 264.135888 167.5
[M-H]- 240.139394 161.9
[M+NH4]+ 259.180493 173.0
[M+K]+ 280.109828 162.8
[M+H-H2O]+ 224.143930 150.1
[M+HCOO]- 286.144871 175.5
[M+CH3COO]- 300.160521 168.2
[M+Na-2H]- 262.121336 159.8
[M]+ 241.14612142 160.2
[M]- 241.14721858 160.2
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