CID 276772

1-carbamimidamido-n-(2-methoxyphenyl)methanimidamide hydrochloride

Structural Information

Molecular Formula
C9H13N5O
SMILES
COC1=CC=CC=C1N=C(N)N=C(N)N
InChI
InChI=1S/C9H13N5O/c1-15-7-5-3-2-4-6(7)13-9(12)14-8(10)11/h2-5H,1H3,(H6,10,11,12,13,14)
InChIKey
QYLVXKQJMSWUHI-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-2-(2-methoxyphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

207.11201 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.11929 144.8
[M+Na]+ 230.10123 149.9
[M-H]- 206.10473 150.0
[M+NH4]+ 225.14583 162.6
[M+K]+ 246.07517 149.3
[M+H-H2O]+ 190.10927 136.7
[M+HCOO]- 252.11021 174.1
[M+CH3COO]- 266.12586 201.3
[M+Na-2H]- 228.08668 149.1
[M]+ 207.11146 140.5
[M]- 207.11256 140.5
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