CID 34137

28073-36-1

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]+ 292.190716 170.5
[M+Na]+ 314.172658 172.2
[M-H]- 290.176164 175.5
[M+NH4]+ 309.217263 184.8
[M+K]+ 330.146598 170.4
[M+H-H2O]+ 274.180700 162.1
[M+HCOO]- 336.181641 189.3
[M+CH3COO]- 350.197291 204.5
[M+Na-2H]- 312.158106 171.2
[M]+ 291.18289142 168.2
[M]- 291.18398858 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.