CID 81339

N,n'-methylenebisformamide

Structural Information

Molecular Formula
C3H6N2O2
SMILES
C(NC=O)NC=O
InChI
InChI=1S/C3H6N2O2/c6-2-4-1-5-3-7/h2-3H,1H2,(H,4,6)(H,5,7)
InChIKey
QPJQPYQZFKFTHG-UHFFFAOYSA-N
Compound name
N-(formamidomethyl)formamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

233
Patents

102.04293 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.05021 115.5
[M+Na]+ 125.03215 122.7
[M-H]- 101.03565 116.1
[M+NH4]+ 120.07675 137.9
[M+K]+ 141.00609 122.8
[M+H-H2O]+ 85.040190 110.4
[M+HCOO]- 147.04113 143.1
[M+CH3COO]- 161.05678 169.9
[M+Na-2H]- 123.01760 124.6
[M]+ 102.04238 115.4
[M]- 102.04348 115.4
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