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]+ 200.128126 154.8
[M+Na]+ 222.110068 158.6
[M-H]- 198.113574 153.7
[M+NH4]+ 217.154673 173.3
[M+K]+ 238.084008 161.8
[M+H-H2O]+ 182.118110 146.2
[M+HCOO]- 244.119051 166.9
[M+CH3COO]- 258.134701 191.6
[M+Na-2H]- 220.095516 165.3
[M]+ 199.12030142 166.7
[M]- 199.12139858 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.