CID 20846519

102504-54-1

Structural Information

Molecular Formula
C11H21NO2
SMILES
CC1CCCCCN1CCC(=O)OC
InChI
InChI=1S/C11H21NO2/c1-10-6-4-3-5-8-12(10)9-7-11(13)14-2/h10H,3-9H2,1-2H3
InChIKey
MLUFYLXKVVKRGN-UHFFFAOYSA-N
Compound name
methyl 3-(2-methylazepan-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.15723 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.164506 141.0
[M+Na]+ 222.146448 143.7
[M-H]- 198.149954 143.3
[M+NH4]+ 217.191053 157.6
[M+K]+ 238.120388 147.3
[M+H-H2O]+ 182.154490 134.6
[M+HCOO]- 244.155431 158.4
[M+CH3COO]- 258.171081 187.1
[M+Na-2H]- 220.131896 143.4
[M]+ 199.15668142 136.7
[M]- 199.15777858 136.7
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.