CID 62972837

2230799-78-5

Structural Information

Molecular Formula
C12H21NO3
SMILES
C1CCC(C1)(CN2CCCOCC2)C(=O)O
InChI
InChI=1S/C12H21NO3/c14-11(15)12(4-1-2-5-12)10-13-6-3-8-16-9-7-13/h1-10H2,(H,14,15)
InChIKey
WLGAEOIQFKAWPK-UHFFFAOYSA-N
Compound name
1-(1,4-oxazepan-4-ylmethyl)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.15215 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15943 153.3
[M+Na]+ 250.14137 159.1
[M+NH4]+ 245.18597 160.6
[M+K]+ 266.11531 156.4
[M-H]- 226.14487 154.9
[M+Na-2H]- 248.12682 157.0
[M]+ 227.15160 154.3
[M]- 227.15270 154.3
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.