CID 57247

97482-07-0

Structural Information

Molecular Formula
C7H11N3
SMILES
C1CCC(=NCC1)NC#N
InChI
InChI=1S/C7H11N3/c8-6-10-7-4-2-1-3-5-9-7/h1-5H2,(H,9,10)
InChIKey
LBZZNASGPKRVDC-UHFFFAOYSA-N
Compound name
3,4,5,6-tetrahydro-2H-azepin-7-ylcyanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

137.09529 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.102566 124.7
[M+Na]+ 160.084508 130.4
[M-H]- 136.088014 127.1
[M+NH4]+ 155.129113 141.2
[M+K]+ 176.058448 132.7
[M+H-H2O]+ 120.092550 111.8
[M+HCOO]- 182.093491 142.5
[M+CH3COO]- 196.109141 188.8
[M+Na-2H]- 158.069956 131.6
[M]+ 137.09474142 113.7
[M]- 137.09583858 113.7
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

No patent data available for this compound.