CID 56857

95071-37-7

Structural Information

Molecular Formula
C11H27N4
SMILES
CC[N+](C)(CC)CCCCCN=C(N)N
InChI
InChI=1S/C11H27N4/c1-4-15(3,5-2)10-8-6-7-9-14-11(12)13/h4-10H2,1-3H3,(H4,12,13,14)/q+1
InChIKey
ZQZKADKMICHYTQ-UHFFFAOYSA-N
Compound name
5-(diaminomethylideneamino)pentyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.22357 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.23085 150.1
[M+Na]+ 238.21279 153.2
[M-H]- 214.21629 151.6
[M+NH4]+ 233.25739 168.4
[M+K]+ 254.18673 147.3
[M+H-H2O]+ 198.22083 146.2
[M+HCOO]- 260.22177 175.2
[M+CH3COO]- 274.23742 198.4
[M+Na-2H]- 236.19824 156.4
[M]+ 215.22302 148.1
[M]- 215.22412 148.1
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.