CID 123583

7-methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene

Structural Information

Molecular Formula
C8H15N3
SMILES
CN1CCCN2C1=NCCC2
InChI
InChI=1S/C8H15N3/c1-10-5-3-7-11-6-2-4-9-8(10)11/h2-7H2,1H3
InChIKey
OEBXWWBYZJNKRK-UHFFFAOYSA-N
Compound name
1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

8788
Patents

153.1266 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.13388 135.2
[M+Na]+ 176.11582 141.3
[M-H]- 152.11932 134.4
[M+NH4]+ 171.16042 153.0
[M+K]+ 192.08976 139.3
[M+H-H2O]+ 136.12386 126.7
[M+HCOO]- 198.12480 150.1
[M+CH3COO]- 212.14045 146.4
[M+Na-2H]- 174.10127 142.1
[M]+ 153.12605 129.6
[M]- 153.12715 129.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe