CID 3033763

Brn 5511163

Structural Information

Molecular Formula
C8H12N4
SMILES
CN(C)/C=C\1/CCN=C1NC#N
InChI
InChI=1S/C8H12N4/c1-12(2)5-7-3-4-10-8(7)11-6-9/h5H,3-4H2,1-2H3,(H,10,11)/b7-5-
InChIKey
MUSFFBRTUORQMT-ALCCZGGFSA-N
Compound name
[(4Z)-4-(dimethylaminomethylidene)-2,3-dihydropyrrol-5-yl]cyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.1062 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.11348 136.8
[M+Na]+ 187.09542 144.9
[M-H]- 163.09892 139.5
[M+NH4]+ 182.14002 155.6
[M+K]+ 203.06936 143.5
[M+H-H2O]+ 147.10346 122.7
[M+HCOO]- 209.10440 158.2
[M+CH3COO]- 223.12005 196.7
[M+Na-2H]- 185.08087 141.0
[M]+ 164.10565 130.2
[M]- 164.10675 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

No patent data available for this compound.