CID 10910051

Tert-butyl n-(3-oxopropyl)carbamate

Structural Information

Molecular Formula
C8H15NO3
SMILES
CC(C)(C)OC(=O)NCCC=O
InChI
InChI=1S/C8H15NO3/c1-8(2,3)12-7(11)9-5-4-6-10/h6H,4-5H2,1-3H3,(H,9,11)
InChIKey
MLDSDVASYUUDLT-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-oxopropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1300
Patents

173.1052 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 138.6
[M+Na]+ 196.09442 145.2
[M-H]- 172.09792 139.0
[M+NH4]+ 191.13902 159.0
[M+K]+ 212.06836 145.5
[M+H-H2O]+ 156.10246 134.0
[M+HCOO]- 218.10340 161.5
[M+CH3COO]- 232.11905 181.2
[M+Na-2H]- 194.07987 144.4
[M]+ 173.10465 141.5
[M]- 173.10575 141.5
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.