CID 346326

N-sec-butylformamide

Structural Information

Molecular Formula
C5H11NO
SMILES
CCC(C)NC=O
InChI
InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)
InChIKey
NRMJMIGWXUCEEW-UHFFFAOYSA-N
Compound name
N-butan-2-ylformamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3497
Patents

101.08406 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.09134 120.4
[M+Na]+ 124.07328 127.2
[M-H]- 100.07678 120.9
[M+NH4]+ 119.11788 143.4
[M+K]+ 140.04722 127.6
[M+H-H2O]+ 84.081320 115.9
[M+HCOO]- 146.08226 145.0
[M+CH3COO]- 160.09791 170.8
[M+Na-2H]- 122.05873 127.0
[M]+ 101.08351 120.6
[M]- 101.08461 120.6
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