CID 7177

Dimethocaine

Structural Information

Molecular Formula
C16H26N2O2
SMILES
CCN(CC)CC(C)(C)COC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C16H26N2O2/c1-5-18(6-2)11-16(3,4)12-20-15(19)13-7-9-14(17)10-8-13/h7-10H,5-6,11-12,17H2,1-4H3
InChIKey
OWQIUQKMMPDHQQ-UHFFFAOYSA-N
Compound name
[3-(diethylamino)-2,2-dimethylpropyl] 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

13
References

5361
Patents

278.19943 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.20671 169.8
[M+Na]+ 301.18865 173.9
[M-H]- 277.19215 173.6
[M+NH4]+ 296.23325 185.8
[M+K]+ 317.16259 172.8
[M+H-H2O]+ 261.19669 162.5
[M+HCOO]- 323.19763 192.0
[M+CH3COO]- 337.21328 210.0
[M+Na-2H]- 299.17410 171.8
[M]+ 278.19888 172.3
[M]- 278.19998 172.3
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