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

7719
References

89243
Patents

145.1579 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.16518 134.1
[M+Na]+ 168.14712 138.3
[M-H]- 144.15062 132.9
[M+NH4]+ 163.19172 154.1
[M+K]+ 184.12106 137.0
[M+H-H2O]+ 128.15516 128.0
[M+HCOO]- 190.15610 159.2
[M+CH3COO]- 204.17175 183.7
[M+Na-2H]- 166.13257 139.1
[M]+ 145.15735 131.2
[M]- 145.15845 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