CID 91890

56488-00-7

Structural Information

Molecular Formula
C9H12N4
SMILES
C1CCN(CC1)C(=NC#N)CC#N
InChI
InChI=1S/C9H12N4/c10-5-4-9(12-8-11)13-6-2-1-3-7-13/h1-4,6-7H2
InChIKey
CXAPGRNCBJXCEF-UHFFFAOYSA-N
Compound name
(2-cyano-1-piperidin-1-ylethylidene)cyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

176.1062 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.11348 147.9
[M+Na]+ 199.09542 154.9
[M-H]- 175.09892 150.3
[M+NH4]+ 194.14002 160.0
[M+K]+ 215.06936 152.4
[M+H-H2O]+ 159.10346 131.7
[M+HCOO]- 221.10440 158.5
[M+CH3COO]- 235.12005 215.8
[M+Na-2H]- 197.08087 150.1
[M]+ 176.10565 136.9
[M]- 176.10675 136.9
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

patents stripe