CID 4962082

55817-76-0

Structural Information

Molecular Formula
C12H20N4
SMILES
CC1=C(N(C(=C1C#N)N)CCCN(C)C)C
InChI
InChI=1S/C12H20N4/c1-9-10(2)16(7-5-6-15(3)4)12(14)11(9)8-13/h5-7,14H2,1-4H3
InChIKey
JLINRXHDECVPQI-UHFFFAOYSA-N
Compound name
2-amino-1-[3-(dimethylamino)propyl]-4,5-dimethylpyrrole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

220.1688 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.17608 151.5
[M+Na]+ 243.15802 160.9
[M-H]- 219.16152 154.5
[M+NH4]+ 238.20262 168.9
[M+K]+ 259.13196 159.1
[M+H-H2O]+ 203.16606 137.7
[M+HCOO]- 265.16700 172.3
[M+CH3COO]- 279.18265 211.8
[M+Na-2H]- 241.14347 151.9
[M]+ 220.16825 148.4
[M]- 220.16935 148.4
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