CID 122164351

1989638-05-2

Structural Information

Molecular Formula
C11H17NO4
SMILES
CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1[C@@H]2C(=O)O
InChI
InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-5-4-6-7(8(6)12)9(13)14/h6-8H,4-5H2,1-3H3,(H,13,14)/t6-,7-,8-/m1/s1
InChIKey
YYPAAJPKVQFPKB-BWZBUEFSSA-N
Compound name
(1R,5R,6R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.11575 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12303 152.7
[M+Na]+ 250.10497 161.5
[M+NH4]+ 245.14957 159.1
[M+K]+ 266.07891 162.2
[M-H]- 226.10847 157.1
[M+Na-2H]- 248.09042 155.2
[M]+ 227.11520 155.9
[M]- 227.11630 155.9
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.