CID 101035

59388-58-8

Structural Information

Molecular Formula
C13H19N
SMILES
CC1CC(NC2=C1C=CC(=C2)C)(C)C
InChI
InChI=1S/C13H19N/c1-9-5-6-11-10(2)8-13(3,4)14-12(11)7-9/h5-7,10,14H,8H2,1-4H3
InChIKey
NRWNXIXJZMSDAU-UHFFFAOYSA-N
Compound name
2,2,4,7-tetramethyl-3,4-dihydro-1H-quinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

78
Patents

189.15175 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.15903 143.4
[M+Na]+ 212.14097 152.0
[M-H]- 188.14447 145.5
[M+NH4]+ 207.18557 165.0
[M+K]+ 228.11491 148.0
[M+H-H2O]+ 172.14901 137.7
[M+HCOO]- 234.14995 160.9
[M+CH3COO]- 248.16560 184.5
[M+Na-2H]- 210.12642 149.3
[M]+ 189.15120 140.8
[M]- 189.15230 140.8
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