CID 135412725

Spermine nonoate

Structural Information

Molecular Formula
C10H26N6O2
SMILES
C(CCN(CCCN)/[N+](=N/O)/[O-])CNCCCN
InChI
InChI=1S/C10H26N6O2/c11-5-3-8-13-7-1-2-9-15(10-4-6-12)16(18)14-17/h13,17H,1-12H2/b16-14-
InChIKey
STVYBUMQUAJDER-PEZBUJJGSA-N
Compound name
(Z)-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-hydroxyimino-oxidoazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

240
References

88
Patents

262.21173 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.21901 155.5
[M+Na]+ 285.20095 155.9
[M-H]- 261.20445 155.0
[M+NH4]+ 280.24555 169.6
[M+K]+ 301.17489 151.8
[M+H-H2O]+ 245.20899 151.5
[M+HCOO]- 307.20993 183.3
[M+CH3COO]- 321.22558 206.6
[M+Na-2H]- 283.18640 160.5
[M]+ 262.21118 152.1
[M]- 262.21228 152.1
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