CID 217317

4-(2-aminoethyl)phenyl 2-methylbenzoate hydrochloride

Structural Information

Molecular Formula
C16H17NO2
SMILES
CC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)CCN
InChI
InChI=1S/C16H17NO2/c1-12-4-2-3-5-15(12)16(18)19-14-8-6-13(7-9-14)10-11-17/h2-9H,10-11,17H2,1H3
InChIKey
HPHSFWGLRMNADT-UHFFFAOYSA-N
Compound name
[4-(2-aminoethyl)phenyl] 2-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.12593 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.133206 159.4
[M+Na]+ 278.115148 166.1
[M-H]- 254.118654 165.7
[M+NH4]+ 273.159753 175.8
[M+K]+ 294.089088 162.4
[M+H-H2O]+ 238.123190 151.6
[M+HCOO]- 300.124131 183.2
[M+CH3COO]- 314.139781 198.0
[M+Na-2H]- 276.100596 163.0
[M]+ 255.12538142 159.7
[M]- 255.12647858 159.7
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.