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

3
Patents

178.12184 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.12912 138.8
[M+Na]+ 201.11106 144.4
[M-H]- 177.11456 143.0
[M+NH4]+ 196.15566 157.9
[M+K]+ 217.08500 142.5
[M+H-H2O]+ 161.11910 131.6
[M+HCOO]- 223.12004 166.8
[M+CH3COO]- 237.13569 192.4
[M+Na-2H]- 199.09651 144.5
[M]+ 178.12129 134.4
[M]- 178.12239 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