CID 146049547

2411292-69-6

Structural Information

Molecular Formula
C12H19NO3
SMILES
CC(C)(C)OC(=O)NC1CCC2C1(C2)C=O
InChI
InChI=1S/C12H19NO3/c1-11(2,3)16-10(15)13-9-5-4-8-6-12(8,9)7-14/h7-9H,4-6H2,1-3H3,(H,13,15)
InChIKey
VJNXTYPBBWDBGA-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-formyl-2-bicyclo[3.1.0]hexanyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.13649 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.14377 153.7
[M+Na]+ 248.12571 162.5
[M+NH4]+ 243.17031 162.6
[M+K]+ 264.09965 159.7
[M-H]- 224.12921 160.2
[M+Na-2H]- 246.11116 159.2
[M]+ 225.13594 157.8
[M]- 225.13704 157.8
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

No patent data available for this compound.