CID 22479589

1824143-05-6

Structural Information

Molecular Formula
C11H17NO3
SMILES
CC(C)(C)OC(=O)NC1C2C1CC(=O)C2
InChI
InChI=1S/C11H17NO3/c1-11(2,3)15-10(14)12-9-7-4-6(13)5-8(7)9/h7-9H,4-5H2,1-3H3,(H,12,14)
InChIKey
YZWIMFNIJSUNNF-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-oxo-6-bicyclo[3.1.0]hexanyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

211.12085 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.128126 147.1
[M+Na]+ 234.110068 156.2
[M-H]- 210.113574 152.5
[M+NH4]+ 229.154673 164.1
[M+K]+ 250.084008 153.2
[M+H-H2O]+ 194.118110 142.7
[M+HCOO]- 256.119051 167.8
[M+CH3COO]- 270.134701 191.8
[M+Na-2H]- 232.095516 151.0
[M]+ 211.12030142 151.1
[M]- 211.12139858 151.1
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