CID 4058492

50326-52-8

Structural Information

Molecular Formula
C6H12N2O2
SMILES
C(CCNC=O)CNC=O
InChI
InChI=1S/C6H12N2O2/c9-5-7-3-1-2-4-8-6-10/h5-6H,1-4H2,(H,7,9)(H,8,10)
InChIKey
XAQWCVPBQWSGPA-UHFFFAOYSA-N
Compound name
N-(4-formamidobutyl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

144.08987 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.097146 129.1
[M+Na]+ 167.079088 135.0
[M-H]- 143.082594 129.1
[M+NH4]+ 162.123693 149.8
[M+K]+ 183.053028 134.4
[M+H-H2O]+ 127.087130 123.4
[M+HCOO]- 189.088071 155.7
[M+CH3COO]- 203.103721 179.1
[M+Na-2H]- 165.064536 136.6
[M]+ 144.08932142 130.2
[M]- 144.09041858 130.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe