CID 59490

Nsc665715

Structural Information

Molecular Formula
C17H25NO3
SMILES
CN(C)CCCOC(=O)C(CC1=CC=CC=C1)(C2CC2)O
InChI
InChI=1S/C17H25NO3/c1-18(2)11-6-12-21-16(19)17(20,15-9-10-15)13-14-7-4-3-5-8-14/h3-5,7-8,15,20H,6,9-13H2,1-2H3
InChIKey
RNEJSIWJEVCXHX-UHFFFAOYSA-N
Compound name
3-(dimethylamino)propyl 2-cyclopropyl-2-hydroxy-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.18344 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.19072 167.0
[M+Na]+ 314.17266 172.1
[M-H]- 290.17616 173.5
[M+NH4]+ 309.21726 177.3
[M+K]+ 330.14660 169.5
[M+H-H2O]+ 274.18070 159.6
[M+HCOO]- 336.18164 187.9
[M+CH3COO]- 350.19729 207.5
[M+Na-2H]- 312.15811 170.5
[M]+ 291.18289 172.0
[M]- 291.18399 172.0
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.