CID 22686

N-propylformamide

Structural Information

Molecular Formula
C4H9NO
SMILES
CCCNC=O
InChI
InChI=1S/C4H9NO/c1-2-3-5-4-6/h4H,2-3H2,1H3,(H,5,6)
InChIKey
SUUDTPGCUKBECW-UHFFFAOYSA-N
Compound name
N-propylformamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

13926
Patents

87.06841 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 88.075686 115.1
[M+Na]+ 110.057628 122.5
[M-H]- 86.061134 115.7
[M+NH4]+ 105.102233 138.7
[M+K]+ 126.031568 122.7
[M+H-H2O]+ 70.065670 110.7
[M+HCOO]- 132.066611 141.0
[M+CH3COO]- 146.082261 166.9
[M+Na-2H]- 108.043076 123.5
[M]+ 87.06786142 115.5
[M]- 87.06895858 115.5
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