CID 36748

Isopropylcaine hydrochloride

Structural Information

Molecular Formula
C16H25NO2
SMILES
CCN(CC)CCOC(=O)C1=CC=C(C=C1)C(C)C
InChI
InChI=1S/C16H25NO2/c1-5-17(6-2)11-12-19-16(18)15-9-7-14(8-10-15)13(3)4/h7-10,13H,5-6,11-12H2,1-4H3
InChIKey
XDAFUIMSEHSBLF-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 4-propan-2-ylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.18854 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.195816 166.1
[M+Na]+ 286.177758 170.5
[M-H]- 262.181264 170.3
[M+NH4]+ 281.222363 183.1
[M+K]+ 302.151698 169.7
[M+H-H2O]+ 246.185800 158.7
[M+HCOO]- 308.186741 188.5
[M+CH3COO]- 322.202391 206.1
[M+Na-2H]- 284.163206 166.8
[M]+ 263.18799142 170.2
[M]- 263.18908858 170.2
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

No patent data available for this compound.