CID 3056944

73909-18-9

Structural Information

Molecular Formula
C18H27NO3
SMILES
CCCCOC1=CC=CC(=C1C(=O)OCCN2CCCC2)C
InChI
InChI=1S/C18H27NO3/c1-3-4-13-21-16-9-7-8-15(2)17(16)18(20)22-14-12-19-10-5-6-11-19/h7-9H,3-6,10-14H2,1-2H3
InChIKey
LMMMVCIBCVILTC-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylethyl 2-butoxy-6-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1991 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.206376 175.8
[M+Na]+ 328.188318 180.2
[M-H]- 304.191824 180.1
[M+NH4]+ 323.232923 191.1
[M+K]+ 344.162258 177.4
[M+H-H2O]+ 288.196360 167.4
[M+HCOO]- 350.197301 195.3
[M+CH3COO]- 364.212951 204.9
[M+Na-2H]- 326.173766 174.6
[M]+ 305.19855142 178.4
[M]- 305.19964858 178.4
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.