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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	226.143766	152.2
[M+Na]+	248.125708	160.8
[M-H]-	224.129214	157.4
[M+NH4]+	243.170313	170.3
[M+K]+	264.099648	158.5
[M+H-H2O]+	208.133750	148.7
[M+HCOO]-	270.134691	172.3
[M+CH3COO]-	284.150341	193.1
[M+Na-2H]-	246.111156	157.5
[M]+	225.13594142	156.7
[M]-	225.13703858	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.