CID 103376826

2-{[3-(aminomethyl)oxolan-3-yl]oxy}ethan-1-ol

Structural Information

Molecular Formula
C7H15NO3
SMILES
C1COCC1(CN)OCCO
InChI
InChI=1S/C7H15NO3/c8-5-7(11-4-2-9)1-3-10-6-7/h9H,1-6,8H2
InChIKey
VQICZVTXUISKQG-UHFFFAOYSA-N
Compound name
2-[3-(aminomethyl)oxolan-3-yl]oxyethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

161.1052 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.11248 133.5
[M+Na]+ 184.09442 139.0
[M-H]- 160.09792 135.3
[M+NH4]+ 179.13902 155.1
[M+K]+ 200.06836 139.3
[M+H-H2O]+ 144.10246 128.9
[M+HCOO]- 206.10340 155.0
[M+CH3COO]- 220.11905 173.3
[M+Na-2H]- 182.07987 139.6
[M]+ 161.10465 132.0
[M]- 161.10575 132.0
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

patents stripe