CID 14670812

(2-aminoethyl)(pentan-3-yl)amine

Structural Information

Molecular Formula
C7H18N2
SMILES
CCC(CC)NCCN
InChI
InChI=1S/C7H18N2/c1-3-7(4-2)9-6-5-8/h7,9H,3-6,8H2,1-2H3
InChIKey
JWRIBBHPRWTITQ-UHFFFAOYSA-N
Compound name
N'-pentan-3-ylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

130.147 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.15428 130.8
[M+Na]+ 153.13622 138.9
[M+NH4]+ 148.18082 138.7
[M+K]+ 169.11016 133.6
[M-H]- 129.13972 131.5
[M+Na-2H]- 151.12167 134.2
[M]+ 130.14645 131.7
[M]- 130.14755 131.7
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