CID 135453291

Dipropylenetriamine nonoate

Structural Information

Molecular Formula
C6H17N5O2
SMILES
C(CN)CN(CCCN)/[N+](=N/O)/[O-]
InChI
InChI=1S/C6H17N5O2/c7-3-1-5-10(6-2-4-8)11(13)9-12/h12H,1-8H2/b11-9-
InChIKey
DLNIKTWGBUNSSV-LUAWRHEFSA-N
Compound name
(Z)-[bis(3-aminopropyl)amino]-hydroxyimino-oxidoazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

26
References

57
Patents

191.13823 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.14551 137.4
[M+Na]+ 214.12745 140.5
[M-H]- 190.13095 137.7
[M+NH4]+ 209.17205 154.8
[M+K]+ 230.10139 137.1
[M+H-H2O]+ 174.13549 134.9
[M+HCOO]- 236.13643 165.6
[M+CH3COO]- 250.15208 189.3
[M+Na-2H]- 212.11290 143.8
[M]+ 191.13768 133.3
[M]- 191.13878 133.3
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.