CID 254129

N-(prop-2-en-1-yl)formamide

Structural Information

Molecular Formula
C4H7NO
SMILES
C=CCNC=O
InChI
InChI=1S/C4H7NO/c1-2-3-5-4-6/h2,4H,1,3H2,(H,5,6)
InChIKey
SHIGCAOWAAOWIG-UHFFFAOYSA-N
Compound name
N-prop-2-enylformamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

41866
Patents

85.052765 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 86.060041 113.5
[M+Na]+ 108.04198 121.3
[M-H]- 84.045489 114.2
[M+NH4]+ 103.08659 137.1
[M+K]+ 124.01592 120.9
[M+H-H2O]+ 68.050025 109.3
[M+HCOO]- 130.05097 139.6
[M+CH3COO]- 144.06662 166.0
[M+Na-2H]- 106.02743 122.0
[M]+ 85.052216 113.3
[M]- 85.053314 113.3
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