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

30
Patents

179.10587 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.113146 138.3
[M+Na]+ 202.095088 144.6
[M-H]- 178.098594 142.5
[M+NH4]+ 197.139693 157.7
[M+K]+ 218.069028 143.2
[M+H-H2O]+ 162.103130 131.4
[M+HCOO]- 224.104071 165.6
[M+CH3COO]- 238.119721 190.0
[M+Na-2H]- 200.080536 143.8
[M]+ 179.10532142 136.2
[M]- 179.10641858 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