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 164.3
[M+Na]+ 298.14135 171.4
[M-H]- 274.14485 172.9
[M+NH4]+ 293.18595 178.0
[M+K]+ 314.11529 170.4
[M+H-H2O]+ 258.14939 158.2
[M+HCOO]- 320.15033 186.8
[M+CH3COO]- 334.16598 204.5
[M+Na-2H]- 296.12680 169.7
[M]+ 275.15158 170.4
[M]- 275.15268 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