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

5
Patents

220.1688 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.176076 151.5
[M+Na]+ 243.158018 160.9
[M-H]- 219.161524 154.5
[M+NH4]+ 238.202623 168.9
[M+K]+ 259.131958 159.1
[M+H-H2O]+ 203.166060 137.7
[M+HCOO]- 265.167001 172.3
[M+CH3COO]- 279.182651 211.8
[M+Na-2H]- 241.143466 151.9
[M]+ 220.16825142 148.4
[M]- 220.16934858 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