CID 138040840

2243506-12-7

Structural Information

Molecular Formula
C10H17NO3
SMILES
CCOC(=O)C12CC(C1)(OC2C)CN
InChI
InChI=1S/C10H17NO3/c1-3-13-8(12)10-4-9(5-10,6-11)14-7(10)2/h7H,3-6,11H2,1-2H3
InChIKey
LXGJFUDOILVIMF-UHFFFAOYSA-N
Compound name
ethyl 1-(aminomethyl)-3-methyl-2-oxabicyclo[2.1.1]hexane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.12085 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.12813 152.2
[M+Na]+ 222.11007 157.8
[M-H]- 198.11357 153.6
[M+NH4]+ 217.15467 174.0
[M+K]+ 238.08401 160.1
[M+H-H2O]+ 182.11811 146.4
[M+HCOO]- 244.11905 168.8
[M+CH3COO]- 258.13470 190.9
[M+Na-2H]- 220.09552 159.1
[M]+ 199.12030 166.8
[M]- 199.12140 166.8
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.