CID 16228665

400720-05-0

Structural Information

Molecular Formula
C11H17NO4
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1C(=O)O
InChI
InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-5-6-4-7(6)8(12)9(13)14/h6-8H,4-5H2,1-3H3,(H,13,14)/t6-,7-,8-/m0/s1
InChIKey
RTWMQNSZCUYSJJ-FXQIFTODSA-N
Compound name
(1S,2S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

155
Patents

227.11575 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.123026 153.9
[M+Na]+ 250.104968 163.1
[M-H]- 226.108474 156.6
[M+NH4]+ 245.149573 168.4
[M+K]+ 266.078908 159.9
[M+H-H2O]+ 210.113010 149.2
[M+HCOO]- 272.113951 170.1
[M+CH3COO]- 286.129601 190.1
[M+Na-2H]- 248.090416 155.6
[M]+ 227.11520142 158.1
[M]- 227.11629858 158.1
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