CID 150861

Methenammonium chloride

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
3
Annotation Hits

3
References

350
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 130.0
[M+Na]+ 178.11889 134.5
[M-H]- 154.12239 121.0
[M+NH4]+ 173.16349 152.5
[M+K]+ 194.09283 127.5
[M+H-H2O]+ 138.12693 123.7
[M+HCOO]- 200.12787 134.2
[M+CH3COO]- 214.14352 138.8
[M+Na-2H]- 176.10434 146.2
[M]+ 155.12912 128.5
[M]- 155.13022 128.5
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