CID 34137

2-(cyclohexylamino)propyl o-anisate hydrochloride

Structural Information

Molecular Formula
C17H25NO3
SMILES
CC(COC(=O)C1=CC=CC=C1OC)NC2CCCCC2
InChI
InChI=1S/C17H25NO3/c1-13(18-14-8-4-3-5-9-14)12-21-17(19)15-10-6-7-11-16(15)20-2/h6-7,10-11,13-14,18H,3-5,8-9,12H2,1-2H3
InChIKey
BNUSXNPDYNPCBR-UHFFFAOYSA-N
Compound name
2-(cyclohexylamino)propyl 2-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.18344 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.19072 170.5
[M+Na]+ 314.17266 172.2
[M-H]- 290.17616 175.5
[M+NH4]+ 309.21726 184.8
[M+K]+ 330.14660 170.4
[M+H-H2O]+ 274.18070 162.1
[M+HCOO]- 336.18164 189.3
[M+CH3COO]- 350.19729 204.5
[M+Na-2H]- 312.15811 171.2
[M]+ 291.18289 168.2
[M]- 291.18399 168.2
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.