CID 130133449

1823521-93-2

Structural Information

Molecular Formula
C13H17N3O2
SMILES
CC(C)(C)OC(=O)N1CCN2C(=CC=C2C#N)C1
InChI
InChI=1S/C13H17N3O2/c1-13(2,3)18-12(17)15-6-7-16-10(8-14)4-5-11(16)9-15/h4-5H,6-7,9H2,1-3H3
InChIKey
COLMLIGQLJYDAZ-UHFFFAOYSA-N
Compound name
tert-butyl 6-cyano-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

247.13208 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.13936 159.0
[M+Na]+ 270.12130 168.1
[M-H]- 246.12480 159.7
[M+NH4]+ 265.16590 174.7
[M+K]+ 286.09524 164.4
[M+H-H2O]+ 230.12934 145.2
[M+HCOO]- 292.13028 172.2
[M+CH3COO]- 306.14593 203.7
[M+Na-2H]- 268.10675 161.5
[M]+ 247.13153 154.1
[M]- 247.13263 154.1
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.