CID 168025600

Akos040806177

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]+ 228.15943 155.3
[M+Na]+ 250.14137 160.6
[M-H]- 226.14487 159.1
[M+NH4]+ 245.18597 170.9
[M+K]+ 266.11531 163.3
[M+H-H2O]+ 210.14941 147.6
[M+HCOO]- 272.15035 174.7
[M+CH3COO]- 286.16600 194.9
[M+Na-2H]- 248.12682 160.4
[M]+ 227.15160 166.2
[M]- 227.15270 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.