CID 89521

2,4-pentanediamine, 2-methyl-

Structural Information

Molecular Formula
C6H16N2
SMILES
CC(CC(C)(C)N)N
InChI
InChI=1S/C6H16N2/c1-5(7)4-6(2,3)8/h5H,4,7-8H2,1-3H3
InChIKey
PCXAQLMRLMZKRL-UHFFFAOYSA-N
Compound name
2-methylpentane-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

263
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 128.0
[M+Na]+ 139.12057 133.7
[M-H]- 115.12407 127.5
[M+NH4]+ 134.16517 149.7
[M+K]+ 155.09451 133.5
[M+H-H2O]+ 99.128610 123.5
[M+HCOO]- 161.12955 149.9
[M+CH3COO]- 175.14520 176.6
[M+Na-2H]- 137.10602 132.5
[M]+ 116.13080 124.3
[M]- 116.13190 124.3
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