CID 12382420

1,4-dimethylpyrrolo[1,2-a]pyrazine

Structural Information

Molecular Formula
C9H10N2
SMILES
CC1=CN=C(C2=CC=CN12)C
InChI
InChI=1S/C9H10N2/c1-7-6-10-8(2)9-4-3-5-11(7)9/h3-6H,1-2H3
InChIKey
FRKUPFZWTZZLGN-UHFFFAOYSA-N
Compound name
1,4-dimethylpyrrolo[1,2-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

146.0844 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.09168 127.3
[M+Na]+ 169.07362 139.2
[M-H]- 145.07712 130.3
[M+NH4]+ 164.11822 149.7
[M+K]+ 185.04756 136.3
[M+H-H2O]+ 129.08166 120.8
[M+HCOO]- 191.08260 151.5
[M+CH3COO]- 205.09825 142.6
[M+Na-2H]- 167.05907 135.7
[M]+ 146.08385 130.1
[M]- 146.08495 130.1
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

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