CID 54761866

2755813-36-4

Structural Information

Molecular Formula
C8H13NO2
SMILES
CC1([C@@H]2[C@H]1[C@H](NC2)C(=O)O)C
InChI
InChI=1S/C8H13NO2/c1-8(2)4-3-9-6(5(4)8)7(10)11/h4-6,9H,3H2,1-2H3,(H,10,11)/t4-,5-,6-/m0/s1
InChIKey
SSKYNJZREFFALT-ZLUOBGJFSA-N
Compound name
(1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

155.09464 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.101916 135.2
[M+Na]+ 178.083858 145.7
[M-H]- 154.087364 137.0
[M+NH4]+ 173.128463 153.7
[M+K]+ 194.057798 142.0
[M+H-H2O]+ 138.091900 131.4
[M+HCOO]- 200.092841 152.6
[M+CH3COO]- 214.108491 176.2
[M+Na-2H]- 176.069306 139.2
[M]+ 155.09409142 136.1
[M]- 155.09518858 136.1
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