CID 168025600

Tert-butyl n-(1-formyl-3,3-dimethylcyclobutyl)carbamate

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC1(CC(C1)(C=O)NC(=O)OC(C)(C)C)C
InChI
InChI=1S/C12H21NO3/c1-10(2,3)16-9(15)13-12(8-14)6-11(4,5)7-12/h8H,6-7H2,1-5H3,(H,13,15)
InChIKey
YOANJQBAOXPKIH-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-formyl-3,3-dimethylcyclobutyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.15215 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.159426 155.3
[M+Na]+ 250.141368 160.6
[M-H]- 226.144874 159.1
[M+NH4]+ 245.185973 170.9
[M+K]+ 266.115308 163.3
[M+H-H2O]+ 210.149410 147.6
[M+HCOO]- 272.150351 174.7
[M+CH3COO]- 286.166001 194.9
[M+Na-2H]- 248.126816 160.4
[M]+ 227.15160142 166.2
[M]- 227.15269858 166.2
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.