CID 56359

92222-19-0

Structural Information

Molecular Formula
C8H21N4
SMILES
CC[N+](C)(CC)CCN=C(N)N
InChI
InChI=1S/C8H21N4/c1-4-12(3,5-2)7-6-11-8(9)10/h4-7H2,1-3H3,(H4,9,10,11)/q+1
InChIKey
YNBKJYVBVRNGJA-UHFFFAOYSA-N
Compound name
2-(diaminomethylideneamino)ethyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.17662 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.18390 136.3
[M+Na]+ 196.16584 140.7
[M-H]- 172.16934 138.4
[M+NH4]+ 191.21044 156.3
[M+K]+ 212.13978 135.6
[M+H-H2O]+ 156.17388 133.1
[M+HCOO]- 218.17482 162.4
[M+CH3COO]- 232.19047 189.3
[M+Na-2H]- 194.15129 144.2
[M]+ 173.17607 133.2
[M]- 173.17717 133.2
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.