CID 15677233

2-(methylamino)pentanenitrile

Structural Information

Molecular Formula
C6H12N2
SMILES
CCCC(C#N)NC
InChI
InChI=1S/C6H12N2/c1-3-4-6(5-7)8-2/h6,8H,3-4H2,1-2H3
InChIKey
GRIQUVSERHHWAY-UHFFFAOYSA-N
Compound name
2-(methylamino)pentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

112.10005 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.107326 123.7
[M+Na]+ 135.089268 131.6
[M-H]- 111.092774 124.6
[M+NH4]+ 130.133873 144.1
[M+K]+ 151.063208 131.7
[M+H-H2O]+ 95.097310 112.5
[M+HCOO]- 157.098251 144.0
[M+CH3COO]- 171.113901 187.1
[M+Na-2H]- 133.074716 129.7
[M]+ 112.09950142 118.7
[M]- 112.10059858 118.7
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

patents stripe