CID 132372816

2171644-99-6

Structural Information

Molecular Formula
C8H15NO3
SMILES
CC1(CC(CCO1)N)C(=O)OC
InChI
InChI=1S/C8H15NO3/c1-8(7(10)11-2)5-6(9)3-4-12-8/h6H,3-5,9H2,1-2H3
InChIKey
KZROLUVOBXVEDP-UHFFFAOYSA-N
Compound name
methyl 4-amino-2-methyloxane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.1052 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 137.0
[M+Na]+ 196.09442 142.8
[M-H]- 172.09792 140.5
[M+NH4]+ 191.13902 157.4
[M+K]+ 212.06836 144.1
[M+H-H2O]+ 156.10246 132.2
[M+HCOO]- 218.10340 156.9
[M+CH3COO]- 232.11905 179.7
[M+Na-2H]- 194.07987 142.3
[M]+ 173.10465 134.8
[M]- 173.10575 134.8
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.