CID 165478321

2138395-17-0

Structural Information

Molecular Formula
C14H26N2O4
SMILES
CC(C)(C)OC(=O)C1(CN(C1)C(=O)OC(C)(C)C)CN
InChI
InChI=1S/C14H26N2O4/c1-12(2,3)19-10(17)14(7-15)8-16(9-14)11(18)20-13(4,5)6/h7-9,15H2,1-6H3
InChIKey
RBAVGNXQMXEYQX-UHFFFAOYSA-N
Compound name
ditert-butyl 3-(aminomethyl)azetidine-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.18927 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.19655 174.2
[M+Na]+ 309.17849 177.5
[M-H]- 285.18199 175.4
[M+NH4]+ 304.22309 183.8
[M+K]+ 325.15243 181.1
[M+H-H2O]+ 269.18653 164.1
[M+HCOO]- 331.18747 188.6
[M+CH3COO]- 345.20312 205.0
[M+Na-2H]- 307.16394 175.7
[M]+ 286.18872 184.8
[M]- 286.18982 184.8
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.