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

79
Patents

112.10005 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.10733 122.1
[M+Na]+ 135.08927 130.4
[M-H]- 111.09277 124.2
[M+NH4]+ 130.13387 143.1
[M+K]+ 151.06321 131.2
[M+H-H2O]+ 95.097310 110.6
[M+HCOO]- 157.09825 143.8
[M+CH3COO]- 171.11390 189.6
[M+Na-2H]- 133.07472 128.7
[M]+ 112.09950 118.8
[M]- 112.10060 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