CID 132342244

3-(azidomethyl)azepane hydrochloride

Structural Information

Molecular Formula
C7H14N4
SMILES
C1CCNCC(C1)CN=[N+]=[N-]
InChI
InChI=1S/C7H14N4/c8-11-10-6-7-3-1-2-4-9-5-7/h7,9H,1-6H2
InChIKey
MARPOIGQCYGLBN-UHFFFAOYSA-N
Compound name
3-(azidomethyl)azepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.12184 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.129116 132.7
[M+Na]+ 177.111058 134.5
[M-H]- 153.114564 136.3
[M+NH4]+ 172.155663 150.0
[M+K]+ 193.084998 133.6
[M+H-H2O]+ 137.119100 129.1
[M+HCOO]- 199.120041 156.5
[M+CH3COO]- 213.135691 178.5
[M+Na-2H]- 175.096506 141.2
[M]+ 154.12129142 121.6
[M]- 154.12238858 121.6
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.