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]+ 155.12912 132.7
[M+Na]+ 177.11106 134.5
[M-H]- 153.11456 136.3
[M+NH4]+ 172.15566 150.0
[M+K]+ 193.08500 133.6
[M+H-H2O]+ 137.11910 129.1
[M+HCOO]- 199.12004 156.5
[M+CH3COO]- 213.13569 178.5
[M+Na-2H]- 175.09651 141.2
[M]+ 154.12129 121.6
[M]- 154.12239 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.