CID 16402

1,6-hexanediamine

Structural Information

Molecular Formula
C6H16N2
SMILES
C(CCCN)CCN
InChI
InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2
InChIKey
NAQMVNRVTILPCV-UHFFFAOYSA-N
Compound name
hexane-1,6-diamine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

341
References

41822
Patents

116.13135 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.13863 127.0
[M+Na]+ 139.12057 132.5
[M-H]- 115.12407 126.1
[M+NH4]+ 134.16517 148.6
[M+K]+ 155.09451 131.5
[M+H-H2O]+ 99.128610 121.8
[M+HCOO]- 161.12955 151.5
[M+CH3COO]- 175.14520 175.5
[M+Na-2H]- 137.10602 132.4
[M]+ 116.13080 124.6
[M]- 116.13190 124.6
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