CID 57457838

3-(aminomethyl)oxolan-3-ol

Structural Information

Molecular Formula
C5H11NO2
SMILES
C1COCC1(CN)O
InChI
InChI=1S/C5H11NO2/c6-3-5(7)1-2-8-4-5/h7H,1-4,6H2
InChIKey
JYTKAOGAECWBMI-UHFFFAOYSA-N
Compound name
3-(aminomethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

117.07898 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.08626 121.9
[M+Na]+ 140.06820 128.4
[M-H]- 116.07170 124.1
[M+NH4]+ 135.11280 145.4
[M+K]+ 156.04214 128.7
[M+H-H2O]+ 100.07624 117.8
[M+HCOO]- 162.07718 143.9
[M+CH3COO]- 176.09283 165.1
[M+Na-2H]- 138.05365 129.0
[M]+ 117.07843 118.2
[M]- 117.07953 118.2
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