CID 167719193

2913240-91-0

Structural Information

Molecular Formula
C12H17NO4
SMILES
CC(C)(C)OC(=O)N1CC2C=CC2C1C(=O)O
InChI
InChI=1S/C12H17NO4/c1-12(2,3)17-11(16)13-6-7-4-5-8(7)9(13)10(14)15/h4-5,7-9H,6H2,1-3H3,(H,14,15)
InChIKey
JGGRELDRGFJQQY-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.2.0]hept-6-ene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.11575 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.12303 155.0
[M+Na]+ 262.10497 160.3
[M-H]- 238.10847 156.9
[M+NH4]+ 257.14957 167.2
[M+K]+ 278.07891 162.5
[M+H-H2O]+ 222.11301 145.1
[M+HCOO]- 284.11395 170.5
[M+CH3COO]- 298.12960 192.5
[M+Na-2H]- 260.09042 156.1
[M]+ 239.11520 165.3
[M]- 239.11630 165.3
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.