CID 10704398

Tert-butyl 1-formyl-7-azabicyclo[2.2.1]heptane-7-carboxylate

Structural Information

Molecular Formula
C12H19NO3
SMILES
CC(C)(C)OC(=O)N1C2CCC1(CC2)C=O
InChI
InChI=1S/C12H19NO3/c1-11(2,3)16-10(15)13-9-4-6-12(13,8-14)7-5-9/h8-9H,4-7H2,1-3H3
InChIKey
VXQSWSMWTQIFRD-UHFFFAOYSA-N
Compound name
tert-butyl 1-formyl-7-azabicyclo[2.2.1]heptane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

225.13649 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.14377 155.0
[M+Na]+ 248.12571 162.2
[M-H]- 224.12921 156.5
[M+NH4]+ 243.17031 179.2
[M+K]+ 264.09965 161.1
[M+H-H2O]+ 208.13375 151.2
[M+HCOO]- 270.13469 172.4
[M+CH3COO]- 284.15034 187.3
[M+Na-2H]- 246.11116 158.3
[M]+ 225.13594 156.7
[M]- 225.13704 156.7
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