CID 11205734

3-(prop-2-en-1-yloxy)propan-1-amine

Structural Information

Molecular Formula
C6H13NO
SMILES
C=CCOCCCN
InChI
InChI=1S/C6H13NO/c1-2-5-8-6-3-4-7/h2H,1,3-7H2
InChIKey
NIGGRFSYIUCXTE-UHFFFAOYSA-N
Compound name
3-prop-2-enoxypropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

381
Patents

115.09972 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 124.8
[M+Na]+ 138.088938 131.4
[M-H]- 114.092444 124.4
[M+NH4]+ 133.133543 147.0
[M+K]+ 154.062878 130.6
[M+H-H2O]+ 98.096980 120.0
[M+HCOO]- 160.097921 149.4
[M+CH3COO]- 174.113571 172.3
[M+Na-2H]- 136.074386 131.0
[M]+ 115.09917142 124.9
[M]- 115.10026858 124.9
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