CID 99011

Methyl 3-(azepan-1-yl)-2-methylpropanoate

Structural Information

Molecular Formula
C11H21NO2
SMILES
CC(CN1CCCCCC1)C(=O)OC
InChI
InChI=1S/C11H21NO2/c1-10(11(13)14-2)9-12-7-5-3-4-6-8-12/h10H,3-9H2,1-2H3
InChIKey
RGTNCOFLOIQTDF-UHFFFAOYSA-N
Compound name
methyl 3-(azepan-1-yl)-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.15723 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.16451 143.5
[M+Na]+ 222.14645 150.6
[M+NH4]+ 217.19105 149.9
[M+K]+ 238.12039 147.6
[M-H]- 198.14995 143.5
[M+Na-2H]- 220.13190 147.0
[M]+ 199.15668 144.2
[M]- 199.15778 144.2
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.