CID 6424797

1-methyl-2-[(1-methyl-1h-pyrrol-2-yl)methyl]-1h-pyrrole

Structural Information

Molecular Formula
C11H14N2
SMILES
CN1C=CC=C1CC2=CC=CN2C
InChI
InChI=1S/C11H14N2/c1-12-7-3-5-10(12)9-11-6-4-8-13(11)2/h3-8H,9H2,1-2H3
InChIKey
GIRSHINZLWWKIV-UHFFFAOYSA-N
Compound name
1-methyl-2-[(1-methylpyrrol-2-yl)methyl]pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

174.11569 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.122966 136.1
[M+Na]+ 197.104908 146.8
[M-H]- 173.108414 141.3
[M+NH4]+ 192.149513 157.8
[M+K]+ 213.078848 144.0
[M+H-H2O]+ 157.112950 128.8
[M+HCOO]- 219.113891 161.9
[M+CH3COO]- 233.129541 151.0
[M+Na-2H]- 195.090356 140.2
[M]+ 174.11514142 139.1
[M]- 174.11623858 139.1
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