CID 469917

90723-13-0

Structural Information

Molecular Formula
C9H22N2
SMILES
CC(C)NCCN(C)C(C)C
InChI
InChI=1S/C9H22N2/c1-8(2)10-6-7-11(5)9(3)4/h8-10H,6-7H2,1-5H3
InChIKey
KLFSSBKMQZMQIF-UHFFFAOYSA-N
Compound name
N'-methyl-N,N'-di(propan-2-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

29
Patents

158.1783 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.18558 142.4
[M+Na]+ 181.16752 146.3
[M-H]- 157.17102 143.7
[M+NH4]+ 176.21212 163.4
[M+K]+ 197.14146 147.6
[M+H-H2O]+ 141.17556 136.5
[M+HCOO]- 203.17650 165.6
[M+CH3COO]- 217.19215 191.3
[M+Na-2H]- 179.15297 144.8
[M]+ 158.17775 143.1
[M]- 158.17885 143.1
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