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]+ 204.12303 145.3
[M+Na]+ 226.10497 149.4
[M-H]- 202.10847 148.2
[M+NH4]+ 221.14957 164.0
[M+K]+ 242.07891 151.4
[M+H-H2O]+ 186.11301 139.9
[M+HCOO]- 248.11395 164.0
[M+CH3COO]- 262.12960 184.7
[M+Na-2H]- 224.09042 149.6
[M]+ 203.11520 143.9
[M]- 203.11630 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.