CID 19068

1-amino-3-(p-methylbenzyl)guanidine hydrogen nitrate

Structural Information

Molecular Formula
C9H14N4
SMILES
CC1=CC=C(C=C1)CN=C(N)NN
InChI
InChI=1S/C9H14N4/c1-7-2-4-8(5-3-7)6-12-9(10)13-11/h2-5H,6,11H2,1H3,(H3,10,12,13)
InChIKey
NGTJLOBAXHHPJR-UHFFFAOYSA-N
Compound name
1-amino-2-[(4-methylphenyl)methyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

178.12184 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.129116 138.8
[M+Na]+ 201.111058 144.4
[M-H]- 177.114564 143.0
[M+NH4]+ 196.155663 157.9
[M+K]+ 217.084998 142.5
[M+H-H2O]+ 161.119100 131.6
[M+HCOO]- 223.120041 166.8
[M+CH3COO]- 237.135691 192.4
[M+Na-2H]- 199.096506 144.5
[M]+ 178.12129142 134.4
[M]- 178.12238858 134.4
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