CID 84723779

Tert-butyl n-[3-oxo-2-(propan-2-yl)propyl]carbamate

Structural Information

Molecular Formula
C11H21NO3
SMILES
CC(C)C(CNC(=O)OC(C)(C)C)C=O
InChI
InChI=1S/C11H21NO3/c1-8(2)9(7-13)6-12-10(14)15-11(3,4)5/h7-9H,6H2,1-5H3,(H,12,14)
InChIKey
FCTUHRCTKMXYGY-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-formyl-3-methylbutyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.15215 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.15943 152.2
[M+Na]+ 238.14137 157.1
[M-H]- 214.14487 152.2
[M+NH4]+ 233.18597 170.8
[M+K]+ 254.11531 157.6
[M+H-H2O]+ 198.14941 147.2
[M+HCOO]- 260.15035 172.1
[M+CH3COO]- 274.16600 192.1
[M+Na-2H]- 236.12682 154.0
[M]+ 215.15160 154.9
[M]- 215.15270 154.9
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.