CID 494535

Nsc626500

Structural Information

Molecular Formula
C11H18N2O4
SMILES
CC(C)(C)OC(=O)NC1C2N(C1=O)CCCO2
InChI
InChI=1S/C11H18N2O4/c1-11(2,3)17-10(15)12-7-8(14)13-5-4-6-16-9(7)13/h7,9H,4-6H2,1-3H3,(H,12,15)
InChIKey
IEHCIJNPJCKDDL-UHFFFAOYSA-N
Compound name
tert-butyl N-(8-oxo-5-oxa-1-azabicyclo[4.2.0]octan-7-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.12666 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.13394 152.4
[M+Na]+ 265.11588 156.3
[M-H]- 241.11938 155.4
[M+NH4]+ 260.16048 161.6
[M+K]+ 281.08982 160.5
[M+H-H2O]+ 225.12392 140.8
[M+HCOO]- 287.12486 167.3
[M+CH3COO]- 301.14051 197.0
[M+Na-2H]- 263.10133 157.4
[M]+ 242.12611 161.2
[M]- 242.12721 161.2
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.