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

134687
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

literature stripe

Patent stripe

patents stripe