CID 86232

1,2-propanediamine, n2-[2-(3-methyl-1-piperazinyl)ethyl]-

Structural Information

Molecular Formula
C10H24N4
SMILES
CC1CN(CCN1)CCNC(C)CN
InChI
InChI=1S/C10H24N4/c1-9(7-11)12-3-5-14-6-4-13-10(2)8-14/h9-10,12-13H,3-8,11H2,1-2H3
InChIKey
RBUMSGHZMAMXDB-UHFFFAOYSA-N
Compound name
2-N-[2-(3-methylpiperazin-1-yl)ethyl]propane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.2001 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.207376 151.6
[M+Na]+ 223.189318 154.1
[M-H]- 199.192824 149.3
[M+NH4]+ 218.233923 166.4
[M+K]+ 239.163258 151.5
[M+H-H2O]+ 183.197360 143.6
[M+HCOO]- 245.198301 167.7
[M+CH3COO]- 259.213951 189.5
[M+Na-2H]- 221.174766 153.4
[M]+ 200.19955142 143.9
[M]- 200.20064858 143.9
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

No patent data available for this compound.