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]+ 232.154336 156.8
[M+Na]+ 254.136278 161.0
[M-H]- 230.139784 159.7
[M+NH4]+ 249.180883 171.4
[M+K]+ 270.110218 164.9
[M+H-H2O]+ 214.144320 148.1
[M+HCOO]- 276.145261 176.2
[M+CH3COO]- 290.160911 196.1
[M+Na-2H]- 252.121726 159.0
[M]+ 231.14651142 168.3
[M]- 231.14760858 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.