CID 137964689

Tert-butyl n-[1-(1-methylcyclopropyl)-2-oxoethyl]carbamate

Structural Information

Molecular Formula
C11H19NO3
SMILES
CC1(CC1)C(C=O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H19NO3/c1-10(2,3)15-9(14)12-8(7-13)11(4)5-6-11/h7-8H,5-6H2,1-4H3,(H,12,14)
InChIKey
VWBYNAWIRZKTBZ-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(1-methylcyclopropyl)-2-oxoethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.13649 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.14377 149.1
[M+Na]+ 236.12571 156.7
[M-H]- 212.12921 153.7
[M+NH4]+ 231.17031 164.9
[M+K]+ 252.09965 155.9
[M+H-H2O]+ 196.13375 144.9
[M+HCOO]- 258.13469 169.9
[M+CH3COO]- 272.15034 192.1
[M+Na-2H]- 234.11116 154.1
[M]+ 213.13594 154.2
[M]- 213.13704 154.2
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.