CID 15153225

3,3-diethyl-2,3-dihydro-1h-indole

Structural Information

Molecular Formula
C12H17N
SMILES
CCC1(CNC2=CC=CC=C21)CC
InChI
InChI=1S/C12H17N/c1-3-12(4-2)9-13-11-8-6-5-7-10(11)12/h5-8,13H,3-4,9H2,1-2H3
InChIKey
VSAJILQTDDOIET-UHFFFAOYSA-N
Compound name
3,3-diethyl-1,2-dihydroindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

175.1361 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.143376 140.3
[M+Na]+ 198.125318 148.5
[M-H]- 174.128824 142.1
[M+NH4]+ 193.169923 163.7
[M+K]+ 214.099258 144.5
[M+H-H2O]+ 158.133360 134.7
[M+HCOO]- 220.134301 160.4
[M+CH3COO]- 234.149951 178.8
[M+Na-2H]- 196.110766 146.4
[M]+ 175.13555142 138.7
[M]- 175.13664858 138.7
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