CID 13376

N-butylformamide

Structural Information

Molecular Formula
C5H11NO
SMILES
CCCCNC=O
InChI
InChI=1S/C5H11NO/c1-2-3-4-6-5-7/h5H,2-4H2,1H3,(H,6,7)
InChIKey
QQGNLKJAIVSNCO-UHFFFAOYSA-N
Compound name
N-butylformamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

10870
Patents

101.08406 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.091336 119.7
[M+Na]+ 124.073278 126.7
[M-H]- 100.076784 120.1
[M+NH4]+ 119.117883 142.7
[M+K]+ 140.047218 126.7
[M+H-H2O]+ 84.081320 115.1
[M+HCOO]- 146.082261 145.3
[M+CH3COO]- 160.097911 170.0
[M+Na-2H]- 122.058726 127.6
[M]+ 101.08351142 120.5
[M]- 101.08460858 120.5
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