CID 200828

2779-60-4

Structural Information

Molecular Formula
C9H21N5
SMILES
CN1CCCN(CC1)CCN=C(N)N
InChI
InChI=1S/C9H21N5/c1-13-4-2-5-14(8-7-13)6-3-12-9(10)11/h2-8H2,1H3,(H4,10,11,12)
InChIKey
GRDJENPSSXYEOA-UHFFFAOYSA-N
Compound name
2-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.1797 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.186976 145.1
[M+Na]+ 222.168918 147.0
[M-H]- 198.172424 146.8
[M+NH4]+ 217.213523 159.7
[M+K]+ 238.142858 150.8
[M+H-H2O]+ 182.176960 135.2
[M+HCOO]- 244.177901 164.5
[M+CH3COO]- 258.193551 195.5
[M+Na-2H]- 220.154366 147.8
[M]+ 199.17915142 135.7
[M]- 199.18024858 135.7
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.