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

51
Patents

250.16812 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.175396 161.9
[M+Na]+ 273.157338 166.0
[M-H]- 249.160844 166.0
[M+NH4]+ 268.201943 178.8
[M+K]+ 289.131278 166.0
[M+H-H2O]+ 233.165380 154.6
[M+HCOO]- 295.166321 184.4
[M+CH3COO]- 309.181971 205.4
[M+Na-2H]- 271.142786 161.7
[M]+ 250.16757142 162.9
[M]- 250.16866858 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