CID 50740

P-aminobenzoic acid (2-(isopropylamino)-1-methyl)ethyl ester hydrochloride

Structural Information

Molecular Formula
C13H20N2O2
SMILES
CC(C)NCC(C)OC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C13H20N2O2/c1-9(2)15-8-10(3)17-13(16)11-4-6-12(14)7-5-11/h4-7,9-10,15H,8,14H2,1-3H3
InChIKey
YQXCGCVFSSXPKU-UHFFFAOYSA-N
Compound name
1-(propan-2-ylamino)propan-2-yl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.15248 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.15976 157.4
[M+Na]+ 259.14170 161.8
[M-H]- 235.14520 160.2
[M+NH4]+ 254.18630 174.2
[M+K]+ 275.11564 160.5
[M+H-H2O]+ 219.14974 150.4
[M+HCOO]- 281.15068 179.7
[M+CH3COO]- 295.16633 199.0
[M+Na-2H]- 257.12715 158.4
[M]+ 236.15193 156.7
[M]- 236.15303 156.7
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.