CID 3033765

Brn 5517970

Structural Information

Molecular Formula
C10H16N4
SMILES
CN(C)/C=C/1\CCCCN=C1NC#N
InChI
InChI=1S/C10H16N4/c1-14(2)7-9-5-3-4-6-12-10(9)13-8-11/h7H,3-6H2,1-2H3,(H,12,13)/b9-7+
InChIKey
XESVQSUDOVRMKL-VQHVLOKHSA-N
Compound name
[(6E)-6-(dimethylaminomethylidene)-2,3,4,5-tetrahydroazepin-7-yl]cyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.1375 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.14478 141.4
[M+Na]+ 215.12672 146.3
[M-H]- 191.13022 144.8
[M+NH4]+ 210.17132 156.4
[M+K]+ 231.10066 149.2
[M+H-H2O]+ 175.13476 127.3
[M+HCOO]- 237.13570 159.6
[M+CH3COO]- 251.15135 203.2
[M+Na-2H]- 213.11217 145.5
[M]+ 192.13695 131.2
[M]- 192.13805 131.2
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.