CID 10725577

3-[methyl(pentyl)amino]propanenitrile

Structural Information

Molecular Formula
C9H18N2
SMILES
CCCCCN(C)CCC#N
InChI
InChI=1S/C9H18N2/c1-3-4-5-8-11(2)9-6-7-10/h3-6,8-9H2,1-2H3
InChIKey
WCYOUTNXDJQKJM-UHFFFAOYSA-N
Compound name
3-[methyl(pentyl)amino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

154.147 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.154276 134.1
[M+Na]+ 177.136218 141.3
[M-H]- 153.139724 135.7
[M+NH4]+ 172.180823 153.6
[M+K]+ 193.110158 141.4
[M+H-H2O]+ 137.144260 122.1
[M+HCOO]- 199.145201 154.9
[M+CH3COO]- 213.160851 197.8
[M+Na-2H]- 175.121666 139.2
[M]+ 154.14645142 131.8
[M]- 154.14754858 131.8
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