CID 105502914

1785534-02-2

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)N1CC2CC(C2C1)C(=O)O
InChI
InChI=1S/C12H19NO4/c1-12(2,3)17-11(16)13-5-7-4-8(10(14)15)9(7)6-13/h7-9H,4-6H2,1-3H3,(H,14,15)
InChIKey
MPPZAZVZDNQLNZ-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.2.0]heptane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

241.13141 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 156.2
[M+Na]+ 264.12063 160.5
[M-H]- 240.12413 157.6
[M+NH4]+ 259.16523 168.1
[M+K]+ 280.09457 162.8
[M+H-H2O]+ 224.12867 146.4
[M+HCOO]- 286.12961 170.3
[M+CH3COO]- 300.14526 192.9
[M+Na-2H]- 262.10608 156.4
[M]+ 241.13086 165.1
[M]- 241.13196 165.1
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

patents stripe