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

18
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

literature stripe

Patent stripe

patents stripe