CID 44558562

Tert-butyl 7-amino-1,2,3,4-tetrahydroquinoline-1-carboxylate

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CC(C)(C)OC(=O)N1CCCC2=C1C=C(C=C2)N
InChI
InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-8-4-5-10-6-7-11(15)9-12(10)16/h6-7,9H,4-5,8,15H2,1-3H3
InChIKey
LXBMKZNMZATOSI-UHFFFAOYSA-N
Compound name
tert-butyl 7-amino-3,4-dihydro-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

248.15248 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 159.1
[M+Na]+ 271.14170 165.3
[M-H]- 247.14520 161.4
[M+NH4]+ 266.18630 175.9
[M+K]+ 287.11564 162.8
[M+H-H2O]+ 231.14974 152.3
[M+HCOO]- 293.15068 176.1
[M+CH3COO]- 307.16633 196.2
[M+Na-2H]- 269.12715 163.5
[M]+ 248.15193 157.1
[M]- 248.15303 157.1
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