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

10
Patents

275.15213 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.159406 164.3
[M+Na]+ 298.141348 171.4
[M-H]- 274.144854 172.9
[M+NH4]+ 293.185953 178.0
[M+K]+ 314.115288 170.4
[M+H-H2O]+ 258.149390 158.2
[M+HCOO]- 320.150331 186.8
[M+CH3COO]- 334.165981 204.5
[M+Na-2H]- 296.126796 169.7
[M]+ 275.15158142 170.4
[M]- 275.15267858 170.4
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