CID 18453415

551964-49-9

Structural Information

Molecular Formula
C11H19NO3
SMILES
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C1)C=O
InChI
InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-9-5-4-8(6-9)7-13/h7-9H,4-6H2,1-3H3,(H,12,14)/t8-,9+/m0/s1
InChIKey
QZIAFYMLFHEMJA-DTWKUNHWSA-N
Compound name
tert-butyl N-[(1R,3S)-3-formylcyclopentyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

213.13649 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.14377 150.1
[M+Na]+ 236.12571 156.9
[M+NH4]+ 231.17031 156.4
[M+K]+ 252.09965 155.0
[M-H]- 212.12921 149.4
[M+Na-2H]- 234.11116 152.0
[M]+ 213.13594 150.4
[M]- 213.13704 150.4
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