CID 137935204

2253640-34-3

Structural Information

Molecular Formula
C9H13N3O2
SMILES
COC(=O)C1CNCC2=NC=CN2C1
InChI
InChI=1S/C9H13N3O2/c1-14-9(13)7-4-10-5-8-11-2-3-12(8)6-7/h2-3,7,10H,4-6H2,1H3
InChIKey
IJSLXOMTEYDTML-UHFFFAOYSA-N
Compound name
methyl 6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10077 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.10805 139.3
[M+Na]+ 218.08999 145.2
[M-H]- 194.09349 139.7
[M+NH4]+ 213.13459 155.5
[M+K]+ 234.06393 146.6
[M+H-H2O]+ 178.09803 130.7
[M+HCOO]- 240.09897 155.4
[M+CH3COO]- 254.11462 181.6
[M+Na-2H]- 216.07544 143.4
[M]+ 195.10022 134.4
[M]- 195.10132 134.4
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.