CID 16227989

6-chloro-1-methyl-1h,2h,3h,4h-pyrrolo[1,2-a]pyrazine

Structural Information

Molecular Formula
C8H11ClN2
SMILES
CC1C2=CC=C(N2CCN1)Cl
InChI
InChI=1S/C8H11ClN2/c1-6-7-2-3-8(9)11(7)5-4-10-6/h2-3,6,10H,4-5H2,1H3
InChIKey
XXVWOUMHIVZHED-UHFFFAOYSA-N
Compound name
6-chloro-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

170.06108 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06836 135.5
[M+Na]+ 193.05030 144.9
[M-H]- 169.05380 135.6
[M+NH4]+ 188.09490 156.6
[M+K]+ 209.02424 140.1
[M+H-H2O]+ 153.05834 129.5
[M+HCOO]- 215.05928 149.3
[M+CH3COO]- 229.07493 148.1
[M+Na-2H]- 191.03575 140.1
[M]+ 170.06053 133.3
[M]- 170.06163 133.3
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