CID 58849

Malononitrile, (hexamethyleneiminemethylene)-

Structural Information

Molecular Formula
C10H13N3
SMILES
C1CCCN(CC1)C=C(C#N)C#N
InChI
InChI=1S/C10H13N3/c11-7-10(8-12)9-13-5-3-1-2-4-6-13/h9H,1-6H2
InChIKey
ABEFTTALBAWWAH-UHFFFAOYSA-N
Compound name
2-(azepan-1-ylmethylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.11095 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.11823 144.7
[M+Na]+ 198.10017 150.6
[M-H]- 174.10367 147.1
[M+NH4]+ 193.14477 155.8
[M+K]+ 214.07411 150.2
[M+H-H2O]+ 158.10821 129.4
[M+HCOO]- 220.10915 153.4
[M+CH3COO]- 234.12480 214.1
[M+Na-2H]- 196.08562 146.1
[M]+ 175.11040 132.0
[M]- 175.11150 132.0
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.