CID 26636

14339-29-8

Structural Information

Molecular Formula
C9H18N2
SMILES
CCCC(C(CC)C#N)NC
InChI
InChI=1S/C9H18N2/c1-4-6-9(11-3)8(5-2)7-10/h8-9,11H,4-6H2,1-3H3
InChIKey
XWOGGMHXORDTGR-UHFFFAOYSA-N
Compound name
2-ethyl-3-(methylamino)hexanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.147 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.15428 137.2
[M+Na]+ 177.13622 143.8
[M-H]- 153.13972 137.6
[M+NH4]+ 172.18082 156.0
[M+K]+ 193.11016 143.5
[M+H-H2O]+ 137.14426 125.5
[M+HCOO]- 199.14520 155.7
[M+CH3COO]- 213.16085 196.0
[M+Na-2H]- 175.12167 140.5
[M]+ 154.14645 132.5
[M]- 154.14755 132.5
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

No patent data available for this compound.