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]+ 306.20638 175.8
[M+Na]+ 328.18832 180.2
[M-H]- 304.19182 180.1
[M+NH4]+ 323.23292 191.1
[M+K]+ 344.16226 177.4
[M+H-H2O]+ 288.19636 167.4
[M+HCOO]- 350.19730 195.3
[M+CH3COO]- 364.21295 204.9
[M+Na-2H]- 326.17377 174.6
[M]+ 305.19855 178.4
[M]- 305.19965 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.