CID 91597816

922337-20-0

Structural Information

Molecular Formula
C16H21NO3
SMILES
CC(C)(C)OC(=O)N(CC1=CC=CC=C1)C2(CC2)C=O
InChI
InChI=1S/C16H21NO3/c1-15(2,3)20-14(19)17(16(12-18)9-10-16)11-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3
InChIKey
NSBHFSLKFRUMQL-UHFFFAOYSA-N
Compound name
tert-butyl N-benzyl-N-(1-formylcyclopropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

275.15213 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15941 167.9
[M+Na]+ 298.14135 179.4
[M+NH4]+ 293.18595 176.6
[M+K]+ 314.11529 173.8
[M-H]- 274.14485 177.1
[M+Na-2H]- 296.12680 177.8
[M]+ 275.15158 173.3
[M]- 275.15268 173.3
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