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

8
Patents

227.11575 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.123026 162.8
[M+Na]+ 250.104968 167.2
[M-H]- 226.108474 161.3
[M+NH4]+ 245.149573 179.7
[M+K]+ 266.078908 169.9
[M+H-H2O]+ 210.113010 155.9
[M+HCOO]- 272.113951 174.9
[M+CH3COO]- 286.129601 192.7
[M+Na-2H]- 248.090416 165.4
[M]+ 227.11520142 176.7
[M]- 227.11629858 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

patents stripe