CID 165949905

2694744-47-1

Structural Information

Molecular Formula
C8H9BrN2O2
SMILES
COC(=O)C1=C2CCCN2C(=N1)Br
InChI
InChI=1S/C8H9BrN2O2/c1-13-7(12)6-5-3-2-4-11(5)8(9)10-6/h2-4H2,1H3
InChIKey
DHIAJBPFIUFHDR-UHFFFAOYSA-N
Compound name
methyl 3-bromo-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.98474 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.99202 147.2
[M+Na]+ 266.97396 160.3
[M-H]- 242.97746 152.5
[M+NH4]+ 262.01856 170.5
[M+K]+ 282.94790 151.0
[M+H-H2O]+ 226.98200 147.2
[M+HCOO]- 288.98294 166.9
[M+CH3COO]- 302.99859 187.7
[M+Na-2H]- 264.95941 151.4
[M]+ 243.98419 167.3
[M]- 243.98529 167.3
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

No patent data available for this compound.