CID 78953

140-80-7

Structural Information

Molecular Formula
C9H22N2
SMILES
CCN(CC)CCCC(C)N
InChI
InChI=1S/C9H22N2/c1-4-11(5-2)8-6-7-9(3)10/h9H,4-8,10H2,1-3H3
InChIKey
CAPCBAYULRXQAN-UHFFFAOYSA-N
Compound name
1-N,1-N-diethylpentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

2557
Patents

158.1783 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.18558 142.1
[M+Na]+ 181.16752 146.3
[M-H]- 157.17102 142.8
[M+NH4]+ 176.21212 163.0
[M+K]+ 197.14146 146.8
[M+H-H2O]+ 141.17556 136.2
[M+HCOO]- 203.17650 165.8
[M+CH3COO]- 217.19215 189.7
[M+Na-2H]- 179.15297 144.8
[M]+ 158.17775 142.5
[M]- 158.17885 142.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe