CID 268118

N-isopropylformamide

Structural Information

Molecular Formula
C4H9NO
SMILES
CC(C)NC=O
InChI
InChI=1S/C4H9NO/c1-4(2)5-3-6/h3-4H,1-2H3,(H,5,6)
InChIKey
KVTGAKFJRLBHLU-UHFFFAOYSA-N
Compound name
N-propan-2-ylformamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

5565
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 115.9
[M+Na]+ 110.05763 125.8
[M+NH4]+ 105.10223 124.2
[M+K]+ 126.03157 121.0
[M-H]- 86.061134 115.9
[M+Na-2H]- 108.04308 120.4
[M]+ 87.067861 117.0
[M]- 87.068959 117.0
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