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

8
Patents

170.06108 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.068356 135.5
[M+Na]+ 193.050298 144.9
[M-H]- 169.053804 135.6
[M+NH4]+ 188.094903 156.6
[M+K]+ 209.024238 140.1
[M+H-H2O]+ 153.058340 129.5
[M+HCOO]- 215.059281 149.3
[M+CH3COO]- 229.074931 148.1
[M+Na-2H]- 191.035746 140.1
[M]+ 170.06053142 133.3
[M]- 170.06162858 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