CID 5942

Norspermidine

Structural Information

Molecular Formula
C6H17N3
SMILES
C(CN)CNCCCN
InChI
InChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2
InChIKey
OTBHHUPVCYLGQO-UHFFFAOYSA-N
Compound name
N'-(3-aminopropyl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

135
References

28344
Patents

131.14224 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.149516 129.7
[M+Na]+ 154.131458 134.3
[M-H]- 130.134964 128.6
[M+NH4]+ 149.176063 150.2
[M+K]+ 170.105398 133.2
[M+H-H2O]+ 114.139500 123.8
[M+HCOO]- 176.140441 155.1
[M+CH3COO]- 190.156091 180.6
[M+Na-2H]- 152.116906 135.2
[M]+ 131.14169142 126.4
[M]- 131.14278858 126.4
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