CID 145867264

2375269-00-2

Structural Information

Molecular Formula
C9H17NO4
SMILES
COC(=O)C(C1(CCOCC1)OC)N
InChI
InChI=1S/C9H17NO4/c1-12-8(11)7(10)9(13-2)3-5-14-6-4-9/h7H,3-6,10H2,1-2H3
InChIKey
QKHXHGUHIAWTCG-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-(4-methoxyoxan-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.11575 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.123026 145.3
[M+Na]+ 226.104968 149.4
[M-H]- 202.108474 148.2
[M+NH4]+ 221.149573 164.0
[M+K]+ 242.078908 151.4
[M+H-H2O]+ 186.113010 139.9
[M+HCOO]- 248.113951 164.0
[M+CH3COO]- 262.129601 184.7
[M+Na-2H]- 224.090416 149.6
[M]+ 203.11520142 143.9
[M]- 203.11629858 143.9
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.