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]+ 200.128126 152.2
[M+Na]+ 222.110068 157.8
[M-H]- 198.113574 153.6
[M+NH4]+ 217.154673 174.0
[M+K]+ 238.084008 160.1
[M+H-H2O]+ 182.118110 146.4
[M+HCOO]- 244.119051 168.8
[M+CH3COO]- 258.134701 190.9
[M+Na-2H]- 220.095516 159.1
[M]+ 199.12030142 166.8
[M]- 199.12139858 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.