CID 10464329

51024-09-0

Structural Information

Molecular Formula
C6H13NO
SMILES
CC(CNCC=C)O
InChI
InChI=1S/C6H13NO/c1-3-4-7-5-6(2)8/h3,6-8H,1,4-5H2,2H3
InChIKey
ZYTBSLSYGOPWGB-UHFFFAOYSA-N
Compound name
1-(prop-2-enylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

115.09972 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 125.9
[M+Na]+ 138.088938 131.8
[M-H]- 114.092444 124.8
[M+NH4]+ 133.133543 147.6
[M+K]+ 154.062878 131.0
[M+H-H2O]+ 98.096980 121.3
[M+HCOO]- 160.097921 148.6
[M+CH3COO]- 174.113571 171.2
[M+Na-2H]- 136.074386 131.3
[M]+ 115.09917142 124.5
[M]- 115.10026858 124.5
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