CID 11007871

Hexane-1,5-diamine dihydrochloride

Structural Information

Molecular Formula
C6H16N2
SMILES
CC(CCCCN)N
InChI
InChI=1S/C6H16N2/c1-6(8)4-2-3-5-7/h6H,2-5,7-8H2,1H3
InChIKey
XTBMQKZEIICCCS-UHFFFAOYSA-N
Compound name
hexane-1,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4902
Patents

116.13135 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.138626 128.3
[M+Na]+ 139.120568 133.5
[M-H]- 115.124074 127.4
[M+NH4]+ 134.165173 149.8
[M+K]+ 155.094508 133.0
[M+H-H2O]+ 99.128610 123.1
[M+HCOO]- 161.129551 151.8
[M+CH3COO]- 175.145201 176.3
[M+Na-2H]- 137.106016 132.2
[M]+ 116.13080142 125.1
[M]- 116.13189858 125.1
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