CID 10769

Tutocaine

Structural Information

Molecular Formula
C14H22N2O2
SMILES
CC(CN(C)C)C(C)OC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C14H22N2O2/c1-10(9-16(3)4)11(2)18-14(17)12-5-7-13(15)8-6-12/h5-8,10-11H,9,15H2,1-4H3
InChIKey
MTNXJJYHFCSXCP-UHFFFAOYSA-N
Compound name
[4-(dimethylamino)-3-methylbutan-2-yl] 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

250.16812 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.17540 161.9
[M+Na]+ 273.15734 166.0
[M-H]- 249.16084 166.0
[M+NH4]+ 268.20194 178.8
[M+K]+ 289.13128 166.0
[M+H-H2O]+ 233.16538 154.6
[M+HCOO]- 295.16632 184.4
[M+CH3COO]- 309.18197 205.4
[M+Na-2H]- 271.14279 161.7
[M]+ 250.16757 162.9
[M]- 250.16867 162.9
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