CID 24841930

89816-13-7

Structural Information

Molecular Formula
C13H17NO5
SMILES
CCCCOC1=CN=C(C=C1)C(=O)OCOC(=O)C
InChI
InChI=1S/C13H17NO5/c1-3-4-7-17-11-5-6-12(14-8-11)13(16)19-9-18-10(2)15/h5-6,8H,3-4,7,9H2,1-2H3
InChIKey
CURNKKIPWJRXSB-UHFFFAOYSA-N
Compound name
acetyloxymethyl 5-butoxypyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

267.1107 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.11798 159.2
[M+Na]+ 290.09992 165.7
[M-H]- 266.10342 161.1
[M+NH4]+ 285.14452 174.2
[M+K]+ 306.07386 165.2
[M+H-H2O]+ 250.10796 151.4
[M+HCOO]- 312.10890 180.7
[M+CH3COO]- 326.12455 195.9
[M+Na-2H]- 288.08537 162.4
[M]+ 267.11015 165.9
[M]- 267.11125 165.9
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

patents stripe