CID 76983

N,n-bis(2-cyanoethyl)formamide

Structural Information

Molecular Formula
C7H9N3O
SMILES
C(CN(CCC#N)C=O)C#N
InChI
InChI=1S/C7H9N3O/c8-3-1-5-10(7-11)6-2-4-9/h7H,1-2,5-6H2
InChIKey
MYRFNYCEQURXPT-UHFFFAOYSA-N
Compound name
N,N-bis(2-cyanoethyl)formamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

118
Patents

151.07455 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.08183 141.9
[M+Na]+ 174.06377 150.0
[M-H]- 150.06727 144.7
[M+NH4]+ 169.10837 155.9
[M+K]+ 190.03771 149.9
[M+H-H2O]+ 134.07181 127.1
[M+HCOO]- 196.07275 155.9
[M+CH3COO]- 210.08840 214.8
[M+Na-2H]- 172.04922 145.1
[M]+ 151.07400 135.7
[M]- 151.07510 135.7
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