CID 110778

N,n,2-trimethylpropane-1,3-diamine

Structural Information

Molecular Formula
C6H16N2
SMILES
CC(CN)CN(C)C
InChI
InChI=1S/C6H16N2/c1-6(4-7)5-8(2)3/h6H,4-5,7H2,1-3H3
InChIKey
DAMJSIMZZSEQRD-UHFFFAOYSA-N
Compound name
N',N',2-trimethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

163
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 133.7
[M-H]- 115.12407 129.5
[M+NH4]+ 134.16517 150.7
[M+K]+ 155.09451 134.9
[M+H-H2O]+ 99.128610 122.9
[M+HCOO]- 161.12955 152.9
[M+CH3COO]- 175.14520 180.5
[M+Na-2H]- 137.10602 132.5
[M]+ 116.13080 127.4
[M]- 116.13190 127.4
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