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]+ 138.10257 124.7
[M+Na]+ 160.08451 130.4
[M-H]- 136.08801 127.1
[M+NH4]+ 155.12911 141.2
[M+K]+ 176.05845 132.7
[M+H-H2O]+ 120.09255 111.8
[M+HCOO]- 182.09349 142.5
[M+CH3COO]- 196.10914 188.8
[M+Na-2H]- 158.06996 131.6
[M]+ 137.09474 113.7
[M]- 137.09584 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.