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 152.2
[M+Na]+ 248.12571 160.8
[M-H]- 224.12921 157.4
[M+NH4]+ 243.17031 170.3
[M+K]+ 264.09965 158.5
[M+H-H2O]+ 208.13375 148.7
[M+HCOO]- 270.13469 172.3
[M+CH3COO]- 284.15034 193.1
[M+Na-2H]- 246.11116 157.5
[M]+ 225.13594 156.7
[M]- 225.13704 156.7
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.