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

1427
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

literature stripe

Patent stripe

patents stripe