CID 123390

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

Structural Information

Molecular Formula
C6H16N2
SMILES
CC(C)(C(C)(C)N)N
InChI
InChI=1S/C6H16N2/c1-5(2,7)6(3,4)8/h7-8H2,1-4H3
InChIKey
CGCVLTOGUMLHNP-UHFFFAOYSA-N
Compound name
2,3-dimethylbutane-2,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

93
References

54421
Patents

116.13135 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.138626 126.9
[M+Na]+ 139.120568 133.4
[M-H]- 115.124074 126.7
[M+NH4]+ 134.165173 148.8
[M+K]+ 155.094508 133.1
[M+H-H2O]+ 99.128610 123.1
[M+HCOO]- 161.129551 148.3
[M+CH3COO]- 175.145201 176.2
[M+Na-2H]- 137.106016 133.5
[M]+ 116.13080142 123.5
[M]- 116.13189858 123.5
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