CID 551592

3-[ethyl(methyl)amino]propanenitrile

Structural Information

Molecular Formula
C6H12N2
SMILES
CCN(C)CCC#N
InChI
InChI=1S/C6H12N2/c1-3-8(2)6-4-5-7/h3-4,6H2,1-2H3
InChIKey
XDZSWBPZWOQXCQ-UHFFFAOYSA-N
Compound name
3-[ethyl(methyl)amino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

112.10005 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.107326 122.1
[M+Na]+ 135.089268 130.4
[M-H]- 111.092774 124.2
[M+NH4]+ 130.133873 143.1
[M+K]+ 151.063208 131.2
[M+H-H2O]+ 95.097310 110.6
[M+HCOO]- 157.098251 143.8
[M+CH3COO]- 171.113901 189.6
[M+Na-2H]- 133.074716 128.7
[M]+ 112.09950142 118.8
[M]- 112.10059858 118.8
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