CID 2763194

N-(tert-butoxycarbonyl)-l-serine beta-lactone

Structural Information

Molecular Formula
C8H13NO4
SMILES
CC(C)(C)OC(=O)N[C@H]1COC1=O
InChI
InChI=1S/C8H13NO4/c1-8(2,3)13-7(11)9-5-4-12-6(5)10/h5H,4H2,1-3H3,(H,9,11)/t5-/m0/s1
InChIKey
HRJDEHQWXAPGBG-YFKPBYRVSA-N
Compound name
tert-butyl N-[(3S)-2-oxooxetan-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

269
Patents

187.08446 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.091736 137.6
[M+Na]+ 210.073678 142.5
[M-H]- 186.077184 141.9
[M+NH4]+ 205.118283 149.4
[M+K]+ 226.047618 147.5
[M+H-H2O]+ 170.081720 127.1
[M+HCOO]- 232.082661 157.7
[M+CH3COO]- 246.098311 186.0
[M+Na-2H]- 208.059126 143.4
[M]+ 187.08391142 148.3
[M]- 187.08500858 148.3
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