CID 12879

Guanidine, ((p-methylbenzyl)oxy)-, nitrate

Structural Information

Molecular Formula
C9H13N3O
SMILES
CC1=CC=C(C=C1)CON=C(N)N
InChI
InChI=1S/C9H13N3O/c1-7-2-4-8(5-3-7)6-13-12-9(10)11/h2-5H,6H2,1H3,(H4,10,11,12)
InChIKey
DNUHQHDGEURGIU-UHFFFAOYSA-N
Compound name
2-[(4-methylphenyl)methoxy]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

179.10587 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.11315 138.3
[M+Na]+ 202.09509 144.6
[M-H]- 178.09859 142.5
[M+NH4]+ 197.13969 157.7
[M+K]+ 218.06903 143.2
[M+H-H2O]+ 162.10313 131.4
[M+HCOO]- 224.10407 165.6
[M+CH3COO]- 238.11972 190.0
[M+Na-2H]- 200.08054 143.8
[M]+ 179.10532 136.2
[M]- 179.10642 136.2
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