CID 550171

102415-36-1

Structural Information

Molecular Formula
C7H15NO3
SMILES
CC(C)CC(C(=O)OC)ON
InChI
InChI=1S/C7H15NO3/c1-5(2)4-6(11-8)7(9)10-3/h5-6H,4,8H2,1-3H3
InChIKey
NVAFDRCMCAACDZ-UHFFFAOYSA-N
Compound name
methyl 2-aminooxy-4-methylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.1052 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.112476 136.8
[M+Na]+ 184.094418 142.4
[M-H]- 160.097924 136.6
[M+NH4]+ 179.139023 157.0
[M+K]+ 200.068358 143.8
[M+H-H2O]+ 144.102460 131.6
[M+HCOO]- 206.103401 158.7
[M+CH3COO]- 220.119051 181.3
[M+Na-2H]- 182.079866 138.7
[M]+ 161.10465142 138.2
[M]- 161.10574858 138.2
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.