CID 24885388

N(1)-acetyl-sym-homospermidine

Structural Information

Molecular Formula
C10H23N3O
SMILES
CC(=O)NCCCCNCCCCN
InChI
InChI=1S/C10H23N3O/c1-10(14)13-9-5-4-8-12-7-3-2-6-11/h12H,2-9,11H2,1H3,(H,13,14)
InChIKey
LZPNCFINRBSVNQ-UHFFFAOYSA-N
Compound name
N-[4-(4-aminobutylamino)butyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.18411 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.19139 150.5
[M+Na]+ 224.17333 153.5
[M-H]- 200.17683 149.3
[M+NH4]+ 219.21793 168.4
[M+K]+ 240.14727 152.1
[M+H-H2O]+ 184.18137 143.7
[M+HCOO]- 246.18231 174.7
[M+CH3COO]- 260.19796 194.7
[M+Na-2H]- 222.15878 153.7
[M]+ 201.18356 149.7
[M]- 201.18466 149.7
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.