CID 84071976

3-amino-2-(oxolan-3-yl)propan-1-ol

Structural Information

Molecular Formula
C7H15NO2
SMILES
C1COCC1C(CN)CO
InChI
InChI=1S/C7H15NO2/c8-3-7(4-9)6-1-2-10-5-6/h6-7,9H,1-5,8H2
InChIKey
PBEPRRARHQGPBD-UHFFFAOYSA-N
Compound name
3-amino-2-(oxolan-3-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.11028 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.11756 133.1
[M+Na]+ 168.09950 137.5
[M-H]- 144.10300 134.7
[M+NH4]+ 163.14410 153.3
[M+K]+ 184.07344 137.7
[M+H-H2O]+ 128.10754 127.7
[M+HCOO]- 190.10848 153.4
[M+CH3COO]- 204.12413 172.5
[M+Na-2H]- 166.08495 136.5
[M]+ 145.10973 129.1
[M]- 145.11083 129.1
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.