CID 145912986

2377035-37-3

Structural Information

Molecular Formula
C10H17NO3
SMILES
CCOC(=O)C12CCOC(C1)(C2)CN
InChI
InChI=1S/C10H17NO3/c1-2-13-8(12)9-3-4-14-10(5-9,6-9)7-11/h2-7,11H2,1H3
InChIKey
YDERJAWOIUMUTI-UHFFFAOYSA-N
Compound name
ethyl 1-(aminomethyl)-2-oxabicyclo[3.1.1]heptane-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.12085 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.12813 154.8
[M+Na]+ 222.11007 158.6
[M-H]- 198.11357 153.7
[M+NH4]+ 217.15467 173.3
[M+K]+ 238.08401 161.8
[M+H-H2O]+ 182.11811 146.2
[M+HCOO]- 244.11905 166.9
[M+CH3COO]- 258.13470 191.6
[M+Na-2H]- 220.09552 165.3
[M]+ 199.12030 166.7
[M]- 199.12140 166.7
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.