CID 11020613

197142-34-0

Structural Information

Molecular Formula
C11H17NO4
SMILES
CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)O
InChI
InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-7-4-6(7)5-8(12)9(13)14/h6-8H,4-5H2,1-3H3,(H,13,14)/t6-,7-,8+/m1/s1
InChIKey
VXIIZQXOIDYWBS-PRJMDXOYSA-N
Compound name
(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

658
Patents

227.11575 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12303 153.9
[M+Na]+ 250.10497 163.1
[M-H]- 226.10847 156.6
[M+NH4]+ 245.14957 168.4
[M+K]+ 266.07891 159.9
[M+H-H2O]+ 210.11301 149.2
[M+HCOO]- 272.11395 170.1
[M+CH3COO]- 286.12960 190.1
[M+Na-2H]- 248.09042 155.6
[M]+ 227.11520 158.1
[M]- 227.11630 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

literature stripe

Patent stripe

patents stripe