CID 136591

765-71-9

Structural Information

Molecular Formula
C6H10N2
SMILES
CC1=CC=C(N1N)C
InChI
InChI=1S/C6H10N2/c1-5-3-4-6(2)8(5)7/h3-4H,7H2,1-2H3
InChIKey
NALRGBZDHLOOTD-UHFFFAOYSA-N
Compound name
2,5-dimethylpyrrol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

110.0844 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.091676 120.2
[M+Na]+ 133.073618 129.9
[M-H]- 109.077124 122.9
[M+NH4]+ 128.118223 143.7
[M+K]+ 149.047558 128.5
[M+H-H2O]+ 93.081660 114.7
[M+HCOO]- 155.082601 145.6
[M+CH3COO]- 169.098251 171.3
[M+Na-2H]- 131.059066 125.7
[M]+ 110.08385142 119.2
[M]- 110.08494858 119.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe