CID 3033763

Cyanamide, (3-((dimethylamino)methylene)-2-pyrrolidinylidene)-

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]+ 165.113476 136.8
[M+Na]+ 187.095418 144.9
[M-H]- 163.098924 139.5
[M+NH4]+ 182.140023 155.6
[M+K]+ 203.069358 143.5
[M+H-H2O]+ 147.103460 122.7
[M+HCOO]- 209.104401 158.2
[M+CH3COO]- 223.120051 196.7
[M+Na-2H]- 185.080866 141.0
[M]+ 164.10565142 130.2
[M]- 164.10674858 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.