CID 25231755

497861-77-5

Structural Information

Molecular Formula
C9H17NO3
SMILES
C[C@H](CC=O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C9H17NO3/c1-7(5-6-11)10-8(12)13-9(2,3)4/h6-7H,5H2,1-4H3,(H,10,12)/t7-/m1/s1
InChIKey
GIQHYOAEOMSKKV-SSDOTTSWSA-N
Compound name
tert-butyl N-[(2R)-4-oxobutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

187.12085 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.12813 143.2
[M+Na]+ 210.11007 149.1
[M-H]- 186.11357 143.5
[M+NH4]+ 205.15467 162.9
[M+K]+ 226.08401 149.6
[M+H-H2O]+ 170.11811 138.4
[M+HCOO]- 232.11905 164.7
[M+CH3COO]- 246.13470 185.1
[M+Na-2H]- 208.09552 147.2
[M]+ 187.12030 145.7
[M]- 187.12140 145.7
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