CID 39438

Benzylaminoguanidine

Structural Information

Molecular Formula
C8H12N4
SMILES
C1=CC=C(C=C1)CNN=C(N)N
InChI
InChI=1S/C8H12N4/c9-8(10)12-11-6-7-4-2-1-3-5-7/h1-5,11H,6H2,(H4,9,10,12)
InChIKey
UFJCEIJCOUJELZ-UHFFFAOYSA-N
Compound name
2-(benzylamino)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

164.1062 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.11348 135.4
[M+Na]+ 187.09542 144.0
[M+NH4]+ 182.14002 143.3
[M+K]+ 203.06936 138.7
[M-H]- 163.09892 139.4
[M+Na-2H]- 185.08087 142.2
[M]+ 164.10565 137.3
[M]- 164.10675 137.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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