CID 7853

Allylamine

Structural Information

Molecular Formula
C3H7N
SMILES
C=CCN
InChI
InChI=1S/C3H7N/c1-2-3-4/h2H,1,3-4H2
InChIKey
VVJKKWFAADXIJK-UHFFFAOYSA-N
Compound name
prop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1284
References

127864
Patents

57.05785 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 58.065126 107.9
[M+Na]+ 80.047068 115.8
[M-H]- 56.050574 108.2
[M+NH4]+ 75.091673 132.5
[M+K]+ 96.021008 115.5
[M+H-H2O]+ 40.055110 104.0
[M+HCOO]- 102.05605 133.2
[M+CH3COO]- 116.07170 161.2
[M+Na-2H]- 78.032516 115.9
[M]+ 57.057301 105.5
[M]- 57.058399 105.5
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

No patent data available for this compound.