CID 137952051

2193059-07-1

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC1(C(CC1=O)CNC(=O)OC(C)(C)C)C
InChI
InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-7-8-6-9(14)12(8,4)5/h8H,6-7H2,1-5H3,(H,13,15)
InChIKey
UTNBCASXGPLGIR-UHFFFAOYSA-N
Compound name
tert-butyl N-[(2,2-dimethyl-3-oxocyclobutyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.15215 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15943 154.9
[M+Na]+ 250.14137 160.1
[M-H]- 226.14487 158.6
[M+NH4]+ 245.18597 168.8
[M+K]+ 266.11531 162.8
[M+H-H2O]+ 210.14941 145.9
[M+HCOO]- 272.15035 174.3
[M+CH3COO]- 286.16600 196.4
[M+Na-2H]- 248.12682 158.0
[M]+ 227.15160 165.8
[M]- 227.15270 165.8
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.