CID 81770

2,2-dimethylpropane-1,3-diamine

Structural Information

Molecular Formula
C5H14N2
SMILES
CC(C)(CN)CN
InChI
InChI=1S/C5H14N2/c1-5(2,3-6)4-7/h3-4,6-7H2,1-2H3
InChIKey
DDHUNHGZUHZNKB-UHFFFAOYSA-N
Compound name
2,2-dimethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

23
References

11056
Patents

102.1157 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.12298 121.6
[M+Na]+ 125.10492 129.8
[M+NH4]+ 120.14952 129.6
[M+K]+ 141.07886 125.7
[M-H]- 101.10842 121.7
[M+Na-2H]- 123.09037 125.3
[M]+ 102.11515 122.5
[M]- 102.11625 122.5
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