CID 165993319

2386682-92-2

Structural Information

Molecular Formula
C13H22N2O4
SMILES
CC(C)(C)OC(=O)N1CC2(CC1(C2)C(=O)OC)CN
InChI
InChI=1S/C13H22N2O4/c1-11(2,3)19-10(17)15-8-12(7-14)5-13(15,6-12)9(16)18-4/h5-8,14H2,1-4H3
InChIKey
KHWSHKMOJPPRQU-UHFFFAOYSA-N
Compound name
2-O-tert-butyl 1-O-methyl 4-(aminomethyl)-2-azabicyclo[2.1.1]hexane-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.15796 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.16524 178.8
[M+Na]+ 293.14718 183.0
[M-H]- 269.15068 177.9
[M+NH4]+ 288.19178 197.7
[M+K]+ 309.12112 185.3
[M+H-H2O]+ 253.15522 172.5
[M+HCOO]- 315.15616 191.7
[M+CH3COO]- 329.17181 202.3
[M+Na-2H]- 291.13263 183.2
[M]+ 270.15741 193.7
[M]- 270.15851 193.7
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.