CID 91902612

1992978-79-6

Structural Information

Molecular Formula
C11H17NO5
SMILES
CC(C)(C)OC(=O)N1CCOC2C1C2C(=O)O
InChI
InChI=1S/C11H17NO5/c1-11(2,3)17-10(15)12-4-5-16-8-6(7(8)12)9(13)14/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKey
LNBOSRZHKZRHKJ-UHFFFAOYSA-N
Compound name
5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-5-azabicyclo[4.1.0]heptane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.11067 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.11795 157.1
[M+Na]+ 266.09989 165.5
[M-H]- 242.10339 160.3
[M+NH4]+ 261.14449 168.0
[M+K]+ 282.07383 164.4
[M+H-H2O]+ 226.10793 151.3
[M+HCOO]- 288.10887 170.7
[M+CH3COO]- 302.12452 192.8
[M+Na-2H]- 264.08534 161.0
[M]+ 243.11012 161.5
[M]- 243.11122 161.5
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.