CID 10994

Glutaronitrile

Structural Information

Molecular Formula
C5H6N2
SMILES
C(CC#N)CC#N
InChI
InChI=1S/C5H6N2/c6-4-2-1-3-5-7/h1-3H2
InChIKey
ZTOMUSMDRMJOTH-UHFFFAOYSA-N
Compound name
pentanedinitrile
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

9
References

18470
Patents

94.0531 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 95.060376 149.3
[M+Na]+ 117.04232 157.2
[M+NH4]+ 112.08692 150.4
[M+K]+ 133.01626 147.1
[M-H]- 93.045824 138.6
[M+Na-2H]- 115.02777 148.3
[M]+ 94.052551 146.1
[M]- 94.053649 146.1
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