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]+ 254.17508 164.2
[M+Na]+ 276.15702 170.8
[M-H]- 252.16052 169.6
[M+NH4]+ 271.20162 177.1
[M+K]+ 292.13096 169.4
[M+H-H2O]+ 236.16506 158.2
[M+HCOO]- 298.16600 180.1
[M+CH3COO]- 312.18165 195.6
[M+Na-2H]- 274.14247 167.2
[M]+ 253.16725 165.8
[M]- 253.16835 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