CID 137942932

2260936-06-7

Structural Information

Molecular Formula
C8H15NO3
SMILES
COC(=O)CC1CC(OC1)CN
InChI
InChI=1S/C8H15NO3/c1-11-8(10)3-6-2-7(4-9)12-5-6/h6-7H,2-5,9H2,1H3
InChIKey
SEBASJYNWSBPGA-UHFFFAOYSA-N
Compound name
methyl 2-[5-(aminomethyl)oxolan-3-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.1052 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 138.5
[M+Na]+ 196.09442 144.2
[M-H]- 172.09792 141.8
[M+NH4]+ 191.13902 158.6
[M+K]+ 212.06836 144.9
[M+H-H2O]+ 156.10246 133.0
[M+HCOO]- 218.10340 160.4
[M+CH3COO]- 232.11905 179.8
[M+Na-2H]- 194.07987 141.3
[M]+ 173.10465 137.9
[M]- 173.10575 137.9
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.