CID 11831151

615575-74-1

Structural Information

Molecular Formula
C11H17NO4
SMILES
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@H]2C(=O)O
InChI
InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-5-6-4-7(12)8(6)9(13)14/h6-8H,4-5H2,1-3H3,(H,13,14)/t6-,7-,8+/m1/s1
InChIKey
VGONMHFNYUTBCO-PRJMDXOYSA-N
Compound name
(1R,4S,5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.1.1]hexane-5-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 162.8
[M+Na]+ 250.10497 167.2
[M-H]- 226.10847 161.3
[M+NH4]+ 245.14957 179.7
[M+K]+ 266.07891 169.9
[M+H-H2O]+ 210.11301 155.9
[M+HCOO]- 272.11395 174.9
[M+CH3COO]- 286.12960 192.7
[M+Na-2H]- 248.09042 165.4
[M]+ 227.11520 176.7
[M]- 227.11630 176.7
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.