CID 136575654

2193064-75-2

Structural Information

Molecular Formula
C16H25NO5
SMILES
CC(C)(C)OC(=O)N1CCC(=CC1)C2(CCOCC2)C(=O)O
InChI
InChI=1S/C16H25NO5/c1-15(2,3)22-14(20)17-8-4-12(5-9-17)16(13(18)19)6-10-21-11-7-16/h4H,5-11H2,1-3H3,(H,18,19)
InChIKey
JCMHGQVYCSAXEU-UHFFFAOYSA-N
Compound name
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]oxane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.17328 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.18056 172.3
[M+Na]+ 334.16250 180.0
[M+NH4]+ 329.20710 178.6
[M+K]+ 350.13644 175.7
[M-H]- 310.16600 173.3
[M+Na-2H]- 332.14795 175.9
[M]+ 311.17273 173.4
[M]- 311.17383 173.4
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.