CID 71755803

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

Structural Information

Molecular Formula
C13H19ClN2O2
SMILES
CC1C2=CC=C(N2CCN1C(=O)OC(C)(C)C)Cl
InChI
InChI=1S/C13H19ClN2O2/c1-9-10-5-6-11(14)16(10)8-7-15(9)12(17)18-13(2,3)4/h5-6,9H,7-8H2,1-4H3
InChIKey
DCRNVENRAYVRTG-UHFFFAOYSA-N
Compound name
tert-butyl 6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.1135 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.12078 163.8
[M+Na]+ 293.10272 172.8
[M-H]- 269.10622 165.7
[M+NH4]+ 288.14732 182.0
[M+K]+ 309.07666 169.2
[M+H-H2O]+ 253.11076 157.9
[M+HCOO]- 315.11170 175.5
[M+CH3COO]- 329.12735 196.4
[M+Na-2H]- 291.08817 165.5
[M]+ 270.11295 166.7
[M]- 270.11405 166.7
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

No patent data available for this compound.