CID 10329243

473742-53-9

Structural Information

Molecular Formula
C4H7N
SMILES
C=C=CCN
InChI
InChI=1S/C4H7N/c1-2-3-4-5/h3H,1,4-5H2
InChIKey
JCWPPNJQFKFPKA-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

58
Patents

69.057846 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 70.065122 111.2
[M+Na]+ 92.047064 119.1
[M-H]- 68.050570 111.4
[M+NH4]+ 87.091669 135.3
[M+K]+ 108.02100 117.9
[M+H-H2O]+ 52.055106 107.3
[M+HCOO]- 114.05605 136.5
[M+CH3COO]- 128.07170 162.6
[M+Na-2H]- 90.032512 118.7
[M]+ 69.057297 108.4
[M]- 69.058395 108.4
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