CID 226845

Bis(2-amino-2-methylpropyl)amine

Structural Information

Molecular Formula
C8H21N3
SMILES
CC(C)(CNCC(C)(C)N)N
InChI
InChI=1S/C8H21N3/c1-7(2,9)5-11-6-8(3,4)10/h11H,5-6,9-10H2,1-4H3
InChIKey
LAFADOMFLHUDQO-UHFFFAOYSA-N
Compound name
1-N-(2-amino-2-methylpropyl)-2-methylpropane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

159.17355 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.18083 139.3
[M+Na]+ 182.16277 144.0
[M-H]- 158.16627 138.6
[M+NH4]+ 177.20737 159.0
[M+K]+ 198.13671 143.3
[M+H-H2O]+ 142.17081 134.5
[M+HCOO]- 204.17175 161.0
[M+CH3COO]- 218.18740 187.5
[M+Na-2H]- 180.14822 145.1
[M]+ 159.17300 135.8
[M]- 159.17410 135.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe