CID 155977968

2624135-59-5

Structural Information

Molecular Formula
C13H21NO5
SMILES
CC(C)(C)OC(=O)N1CC2(CC1(C2)C(=O)O)COC
InChI
InChI=1S/C13H21NO5/c1-11(2,3)19-10(17)14-7-12(8-18-4)5-13(14,6-12)9(15)16/h5-8H2,1-4H3,(H,15,16)
InChIKey
JPCJSZYJVGCTSQ-UHFFFAOYSA-N
Compound name
4-(methoxymethyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.1.1]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

271.14197 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.14925 177.2
[M+Na]+ 294.13119 181.7
[M-H]- 270.13469 175.5
[M+NH4]+ 289.17579 195.8
[M+K]+ 310.10513 183.8
[M+H-H2O]+ 254.13923 171.7
[M+HCOO]- 316.14017 188.5
[M+CH3COO]- 330.15582 198.5
[M+Na-2H]- 292.11664 182.0
[M]+ 271.14142 193.5
[M]- 271.14252 193.5
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