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]+ 188.128126 139.7
[M+Na]+ 210.110068 146.1
[M-H]- 186.113574 143.5
[M+NH4]+ 205.154673 161.6
[M+K]+ 226.084008 147.4
[M+H-H2O]+ 170.118110 135.8
[M+HCOO]- 232.119051 159.2
[M+CH3COO]- 246.134701 182.5
[M+Na-2H]- 208.095516 145.9
[M]+ 187.12030142 138.3
[M]- 187.12139858 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.