CID 70810981

Tert-butyl n-(1-cyclopropyl-2-oxopropyl)carbamate

Structural Information

Molecular Formula
C11H19NO3
SMILES
CC(=O)C(C1CC1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H19NO3/c1-7(13)9(8-5-6-8)12-10(14)15-11(2,3)4/h8-9H,5-6H2,1-4H3,(H,12,14)
InChIKey
CGSNLTJZQJLSCN-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-cyclopropyl-2-oxopropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

213.13649 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.14377 148.1
[M+Na]+ 236.12571 154.8
[M-H]- 212.12921 152.5
[M+NH4]+ 231.17031 161.9
[M+K]+ 252.09965 153.5
[M+H-H2O]+ 196.13375 142.5
[M+HCOO]- 258.13469 168.4
[M+CH3COO]- 272.15034 193.4
[M+Na-2H]- 234.11116 150.8
[M]+ 213.13594 152.1
[M]- 213.13704 152.1
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

patents stripe