CID 150861

76902-90-4

Structural Information

Molecular Formula
C7H15N4
SMILES
C[N+]12CN3CN(C1)CN(C3)C2
InChI
InChI=1S/C7H15N4/c1-11-5-8-2-9(6-11)4-10(3-8)7-11/h2-7H2,1H3/q+1
InChIKey
ZWRDTZZCWMQVJM-UHFFFAOYSA-N
Compound name
1-methyl-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

348
Patents

155.12967 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.13695 133.3
[M+Na]+ 178.11889 146.0
[M+NH4]+ 173.16349 146.4
[M+K]+ 194.09283 137.6
[M-H]- 154.12239 131.4
[M+Na-2H]- 176.10434 132.4
[M]+ 155.12912 135.0
[M]- 155.13022 135.0
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