CID 124660417

2307784-72-9

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)O
InChI
InChI=1S/C12H19NO4/c1-11(2,3)17-10(16)13-6-4-5-8-7-12(8,13)9(14)15/h8H,4-7H2,1-3H3,(H,14,15)/t8-,12+/m1/s1
InChIKey
DRQHCLGJNMXFGK-PELKAZGASA-N
Compound name
(1S,6R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[4.1.0]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.13141 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 159.8
[M+Na]+ 264.12063 167.6
[M-H]- 240.12413 162.0
[M+NH4]+ 259.16523 173.6
[M+K]+ 280.09457 165.8
[M+H-H2O]+ 224.12867 155.2
[M+HCOO]- 286.12961 173.5
[M+CH3COO]- 300.14526 191.8
[M+Na-2H]- 262.10608 163.9
[M]+ 241.13086 162.5
[M]- 241.13196 162.5
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.