CID 55256079

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

Structural Information

Molecular Formula
C7H11NO2
SMILES
C1=COC(=C1)C(CCO)N
InChI
InChI=1S/C7H11NO2/c8-6(3-4-9)7-2-1-5-10-7/h1-2,5-6,9H,3-4,8H2
InChIKey
UCEDMXFZQPQWEQ-UHFFFAOYSA-N
Compound name
3-amino-3-(furan-2-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.07898 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.08626 129.3
[M+Na]+ 164.06820 135.8
[M-H]- 140.07170 131.7
[M+NH4]+ 159.11280 149.9
[M+K]+ 180.04214 135.6
[M+H-H2O]+ 124.07624 123.9
[M+HCOO]- 186.07718 152.6
[M+CH3COO]- 200.09283 171.7
[M+Na-2H]- 162.05365 134.7
[M]+ 141.07843 128.2
[M]- 141.07953 128.2
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