CID 47870

Brn 1254301

Structural Information

Molecular Formula
C14H21NO4
SMILES
CC1CC2(CC(OC2=O)CN3CCCCC3)C(=O)O1
InChI
InChI=1S/C14H21NO4/c1-10-7-14(12(16)18-10)8-11(19-13(14)17)9-15-5-3-2-4-6-15/h10-11H,2-9H2,1H3
InChIKey
OSFGQAMWJWZWBT-UHFFFAOYSA-N
Compound name
8-methyl-3-(piperidin-1-ylmethyl)-2,7-dioxaspiro[4.4]nonane-1,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.14706 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.154336 160.9
[M+Na]+ 290.136278 166.4
[M-H]- 266.139784 168.8
[M+NH4]+ 285.180883 178.9
[M+K]+ 306.110218 166.2
[M+H-H2O]+ 250.144320 155.4
[M+HCOO]- 312.145261 176.0
[M+CH3COO]- 326.160911 193.6
[M+Na-2H]- 288.121726 160.5
[M]+ 267.14651142 157.4
[M]- 267.14760858 157.4
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.