CID 137943402

2260931-91-5

Structural Information

Molecular Formula
C11H21NO4
SMILES
CC(C)OC(=O)C1(CC(C1)(OC)OC)CN
InChI
InChI=1S/C11H21NO4/c1-8(2)16-9(13)10(7-12)5-11(6-10,14-3)15-4/h8H,5-7,12H2,1-4H3
InChIKey
XXGZURWAGJOOBL-UHFFFAOYSA-N
Compound name
propan-2-yl 1-(aminomethyl)-3,3-dimethoxycyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.14706 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.15434 156.8
[M+Na]+ 254.13628 161.0
[M-H]- 230.13978 159.7
[M+NH4]+ 249.18088 171.4
[M+K]+ 270.11022 164.9
[M+H-H2O]+ 214.14432 148.1
[M+HCOO]- 276.14526 176.2
[M+CH3COO]- 290.16091 196.1
[M+Na-2H]- 252.12173 159.0
[M]+ 231.14651 168.3
[M]- 231.14761 168.3
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.