CID 154578294

Tert-butyl 2-(1-formylcyclopropyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C14H23NO3
SMILES
CC(C)(C)OC(=O)N1CCCCC1C2(CC2)C=O
InChI
InChI=1S/C14H23NO3/c1-13(2,3)18-12(17)15-9-5-4-6-11(15)14(10-16)7-8-14/h10-11H,4-9H2,1-3H3
InChIKey
HYWLOWDMYGHYJE-UHFFFAOYSA-N
Compound name
tert-butyl 2-(1-formylcyclopropyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

253.1678 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.175076 164.2
[M+Na]+ 276.157018 170.8
[M-H]- 252.160524 169.6
[M+NH4]+ 271.201623 177.1
[M+K]+ 292.130958 169.4
[M+H-H2O]+ 236.165060 158.2
[M+HCOO]- 298.166001 180.1
[M+CH3COO]- 312.181651 195.6
[M+Na-2H]- 274.142466 167.2
[M]+ 253.16725142 165.8
[M]- 253.16834858 165.8
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

patents stripe