CID 221394

N-octylformamide

Structural Information

Molecular Formula
C9H19NO
SMILES
CCCCCCCCNC=O
InChI
InChI=1S/C9H19NO/c1-2-3-4-5-6-7-8-10-9-11/h9H,2-8H2,1H3,(H,10,11)
InChIKey
ZBWPKQRQZDZVSF-UHFFFAOYSA-N
Compound name
N-octylformamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2243
Patents

157.14667 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.153946 138.1
[M+Na]+ 180.135888 143.4
[M-H]- 156.139394 137.7
[M+NH4]+ 175.180493 158.9
[M+K]+ 196.109828 142.3
[M+H-H2O]+ 140.143930 132.7
[M+HCOO]- 202.144871 162.3
[M+CH3COO]- 216.160521 182.2
[M+Na-2H]- 178.121336 143.8
[M]+ 157.14612142 140.4
[M]- 157.14721858 140.4
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