CID 12219537

Methyl 4-amino-2,2-dimethyloxane-4-carboxylate

Structural Information

Molecular Formula
C9H17NO3
SMILES
CC1(CC(CCO1)(C(=O)OC)N)C
InChI
InChI=1S/C9H17NO3/c1-8(2)6-9(10,4-5-13-8)7(11)12-3/h4-6,10H2,1-3H3
InChIKey
FYLQEAJTNLULEM-UHFFFAOYSA-N
Compound name
methyl 4-amino-2,2-dimethyloxane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.12085 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.12813 139.7
[M+Na]+ 210.11007 146.1
[M-H]- 186.11357 143.5
[M+NH4]+ 205.15467 161.6
[M+K]+ 226.08401 147.4
[M+H-H2O]+ 170.11811 135.8
[M+HCOO]- 232.11905 159.2
[M+CH3COO]- 246.13470 182.5
[M+Na-2H]- 208.09552 145.9
[M]+ 187.12030 138.3
[M]- 187.12140 138.3
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.