CID 165467895

2008246-99-7

Structural Information

Molecular Formula
C11H19NO3
SMILES
CC(C)(C)OC(=O)NCCC(=O)C1CC1
InChI
InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-7-6-9(13)8-4-5-8/h8H,4-7H2,1-3H3,(H,12,14)
InChIKey
CJSSQQHQETZFLW-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-cyclopropyl-3-oxopropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.13649 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.14377 149.2
[M+Na]+ 236.12571 156.2
[M-H]- 212.12921 153.5
[M+NH4]+ 231.17031 163.1
[M+K]+ 252.09965 154.4
[M+H-H2O]+ 196.13375 143.4
[M+HCOO]- 258.13469 170.4
[M+CH3COO]- 272.15034 192.5
[M+Na-2H]- 234.11116 153.0
[M]+ 213.13594 153.8
[M]- 213.13704 153.8
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.