CID 98015

6967-44-8

Structural Information

Molecular Formula
C6H13NO2
SMILES
C=CCOCC(CN)O
InChI
InChI=1S/C6H13NO2/c1-2-3-9-5-6(8)4-7/h2,6,8H,1,3-5,7H2
InChIKey
CBTJEAMLAOXIEA-UHFFFAOYSA-N
Compound name
1-amino-3-prop-2-enoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

131.09464 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.101916 129.1
[M+Na]+ 154.083858 135.0
[M-H]- 130.087364 127.4
[M+NH4]+ 149.128463 149.8
[M+K]+ 170.057798 134.2
[M+H-H2O]+ 114.091900 124.3
[M+HCOO]- 176.092841 151.4
[M+CH3COO]- 190.108491 172.5
[M+Na-2H]- 152.069306 133.4
[M]+ 131.09409142 128.1
[M]- 131.09518858 128.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe