CID 162247

1,4-dimethylputrescine

Structural Information

Molecular Formula
C6H16N2
SMILES
C[C@H](CC[C@@H](C)N)N
InChI
InChI=1S/C6H16N2/c1-5(7)3-4-6(2)8/h5-6H,3-4,7-8H2,1-2H3/t5-,6-/m1/s1
InChIKey
BBPXVYVXKAYBSS-PHDIDXHHSA-N
Compound name
(2R,5R)-hexane-2,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1264
Patents

116.13135 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.13863 129.2
[M+Na]+ 139.12057 134.2
[M-H]- 115.12407 128.5
[M+NH4]+ 134.16517 150.7
[M+K]+ 155.09451 134.2
[M+H-H2O]+ 99.128610 124.1
[M+HCOO]- 161.12955 151.7
[M+CH3COO]- 175.14520 177.2
[M+Na-2H]- 137.10602 131.8
[M]+ 116.13080 125.4
[M]- 116.13190 125.4
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