CID 146049651

Rac-(3r,4s)-1-[(tert-butoxy)carbonyl]-3-(ethoxycarbonyl)-4-isocyanopiperidine

Structural Information

Molecular Formula
C14H22N2O4
SMILES
CCOC(=O)[C@@H]1CN(CC[C@@H]1[N+]#[C-])C(=O)OC(C)(C)C
InChI
InChI=1S/C14H22N2O4/c1-6-19-12(17)10-9-16(8-7-11(10)15-5)13(18)20-14(2,3)4/h10-11H,6-9H2,1-4H3/t10-,11+/m1/s1
InChIKey
AYFAWDNZYNVRAB-MNOVXSKESA-N
Compound name
1-O-tert-butyl 3-O-ethyl (3R,4S)-4-isocyanopiperidine-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.15796 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.16524 169.4
[M+Na]+ 305.14718 175.5
[M-H]- 281.15068 169.5
[M+NH4]+ 300.19178 181.8
[M+K]+ 321.12112 169.4
[M+H-H2O]+ 265.15522 161.2
[M+HCOO]- 327.15616 180.9
[M+CH3COO]- 341.17181 200.4
[M+Na-2H]- 303.13263 171.0
[M]+ 282.15741 161.6
[M]- 282.15851 161.6
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.