CID 58406

101491-43-4

Structural Information

Molecular Formula
C9H21N5
SMILES
CCCCCCCN=C(N)N=C(N)N
InChI
InChI=1S/C9H21N5/c1-2-3-4-5-6-7-13-9(12)14-8(10)11/h2-7H2,1H3,(H6,10,11,12,13,14)
InChIKey
SPZSHRCACHVFJR-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-2-heptylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

199.1797 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.186976 149.1
[M+Na]+ 222.168918 152.0
[M-H]- 198.172424 150.1
[M+NH4]+ 217.213523 167.2
[M+K]+ 238.142858 151.7
[M+H-H2O]+ 182.176960 141.3
[M+HCOO]- 244.177901 176.3
[M+CH3COO]- 258.193551 202.5
[M+Na-2H]- 220.154366 150.9
[M]+ 199.17915142 145.2
[M]- 199.18024858 145.2
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

patents stripe