CID 54761866

G97gd59fuc

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

188
Patents

155.09464 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 135.2
[M+Na]+ 178.08386 145.8
[M+NH4]+ 173.12846 144.8
[M+K]+ 194.05780 143.0
[M-H]- 154.08736 141.4
[M+Na-2H]- 176.06931 140.7
[M]+ 155.09409 139.4
[M]- 155.09519 139.4
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