CID 1102

Spermidine

Structural Information

Molecular Formula
C7H19N3
SMILES
C(CCNCCCN)CN
InChI
InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2
InChIKey
ATHGHQPFGPMSJY-UHFFFAOYSA-N
Compound name
N'-(3-aminopropyl)butane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

7733
References

87963
Patents

145.1579 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.165176 134.1
[M+Na]+ 168.147118 138.3
[M-H]- 144.150624 132.9
[M+NH4]+ 163.191723 154.1
[M+K]+ 184.121058 137.0
[M+H-H2O]+ 128.155160 128.0
[M+HCOO]- 190.156101 159.2
[M+CH3COO]- 204.171751 183.7
[M+Na-2H]- 166.132566 139.1
[M]+ 145.15735142 131.2
[M]- 145.15844858 131.2
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