CID 252508

N-(6-formamidohexyl)formamide

Structural Information

Molecular Formula
C8H16N2O2
SMILES
C(CCCNC=O)CCNC=O
InChI
InChI=1S/C8H16N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h7-8H,1-6H2,(H,9,11)(H,10,12)
InChIKey
LVDFMQLCDCNNKK-UHFFFAOYSA-N
Compound name
N-(6-formamidohexyl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

159
Patents

172.12119 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.12847 138.1
[M+Na]+ 195.11041 143.2
[M-H]- 171.11391 137.8
[M+NH4]+ 190.15501 157.7
[M+K]+ 211.08435 142.0
[M+H-H2O]+ 155.11845 132.0
[M+HCOO]- 217.11939 164.1
[M+CH3COO]- 231.13504 185.2
[M+Na-2H]- 193.09586 144.6
[M]+ 172.12064 139.9
[M]- 172.12174 139.9
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