CID 25376

Brn 0132010

Structural Information

Molecular Formula
C10H17NO2
SMILES
CC(C)OC(=O)C1=CCCN(C1)C
InChI
InChI=1S/C10H17NO2/c1-8(2)13-10(12)9-5-4-6-11(3)7-9/h5,8H,4,6-7H2,1-3H3
InChIKey
UCCRGRWAACBLFP-UHFFFAOYSA-N
Compound name
propan-2-yl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.12593 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.13321 141.8
[M+Na]+ 206.11515 152.4
[M+NH4]+ 201.15975 149.3
[M+K]+ 222.08909 147.4
[M-H]- 182.11865 142.4
[M+Na-2H]- 204.10060 146.1
[M]+ 183.12538 143.2
[M]- 183.12648 143.2
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.