CID 3064376

2-methyl-2-(pentylamino)-1-propanol benzoate hydrochloride

Structural Information

Molecular Formula
C16H25NO2
SMILES
CCCCCNC(C)(C)COC(=O)C1=CC=CC=C1
InChI
InChI=1S/C16H25NO2/c1-4-5-9-12-17-16(2,3)13-19-15(18)14-10-7-6-8-11-14/h6-8,10-11,17H,4-5,9,12-13H2,1-3H3
InChIKey
CRHQIJGWJILVTQ-UHFFFAOYSA-N
Compound name
[2-methyl-2-(pentylamino)propyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.18854 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.19582 166.1
[M+Na]+ 286.17776 170.1
[M-H]- 262.18126 168.7
[M+NH4]+ 281.22236 182.4
[M+K]+ 302.15170 167.8
[M+H-H2O]+ 246.18580 159.1
[M+HCOO]- 308.18674 187.4
[M+CH3COO]- 322.20239 201.0
[M+Na-2H]- 284.16321 170.3
[M]+ 263.18799 168.8
[M]- 263.18909 168.8
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.