CID 5201578

3,3-dimethylbutane-1,2-diamine dihydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

218
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 128.2
[M+Na]+ 139.12057 134.0
[M-H]- 115.12407 127.8
[M+NH4]+ 134.16517 150.0
[M+K]+ 155.09451 133.9
[M+H-H2O]+ 99.128610 123.8
[M+HCOO]- 161.12955 150.2
[M+CH3COO]- 175.14520 175.9
[M+Na-2H]- 137.10602 132.8
[M]+ 116.13080 124.5
[M]- 116.13190 124.5
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