CID 407405

Methenamine allyl iodide

Structural Information

Molecular Formula
C9H17N4
SMILES
C=CC[N+]12CN3CN(C1)CN(C3)C2
InChI
InChI=1S/C9H17N4/c1-2-3-13-7-10-4-11(8-13)6-12(5-10)9-13/h2H,1,3-9H2/q+1
InChIKey
GICBAHNYFYTOCG-UHFFFAOYSA-N
Compound name
1-prop-2-enyl-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

181.14532 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.15260 137.8
[M+Na]+ 204.13454 141.7
[M-H]- 180.13804 128.4
[M+NH4]+ 199.17914 159.2
[M+K]+ 220.10848 133.7
[M+H-H2O]+ 164.14258 131.2
[M+HCOO]- 226.14352 141.5
[M+CH3COO]- 240.15917 145.8
[M+Na-2H]- 202.11999 152.9
[M]+ 181.14477 136.2
[M]- 181.14587 136.2
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

patents stripe