CID 54595271

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

Structural Information

Molecular Formula
C7H11NO2
SMILES
CC(CN)(C1=CC=CO1)O
InChI
InChI=1S/C7H11NO2/c1-7(9,5-8)6-3-2-4-10-6/h2-4,9H,5,8H2,1H3
InChIKey
HCEFDRFLECEKNL-UHFFFAOYSA-N
Compound name
1-amino-2-(furan-2-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.07898 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.08626 128.2
[M+Na]+ 164.06820 135.4
[M-H]- 140.07170 130.8
[M+NH4]+ 159.11280 149.0
[M+K]+ 180.04214 135.1
[M+H-H2O]+ 124.07624 123.5
[M+HCOO]- 186.07718 150.9
[M+CH3COO]- 200.09283 171.2
[M+Na-2H]- 162.05365 135.7
[M]+ 141.07843 127.3
[M]- 141.07953 127.3
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