CID 347402

N-heptylformamide

Structural Information

Molecular Formula
C8H17NO
SMILES
CCCCCCCNC=O
InChI
InChI=1S/C8H17NO/c1-2-3-4-5-6-7-9-8-10/h8H,2-7H2,1H3,(H,9,10)
InChIKey
YAUHDTOEJHVKJO-UHFFFAOYSA-N
Compound name
N-heptylformamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

807
Patents

143.13101 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 133.5
[M+Na]+ 166.12023 139.3
[M-H]- 142.12373 133.3
[M+NH4]+ 161.16483 154.9
[M+K]+ 182.09417 138.4
[M+H-H2O]+ 126.12827 128.3
[M+HCOO]- 188.12921 158.1
[M+CH3COO]- 202.14486 179.1
[M+Na-2H]- 164.10568 139.8
[M]+ 143.13046 135.5
[M]- 143.13156 135.5
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