CID 6912279

Un2crh8iyr

Structural Information

Molecular Formula
C10H13N3
SMILES
C1=CC=C(C=C1)/C=C\CN=C(N)N
InChI
InChI=1S/C10H13N3/c11-10(12)13-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2,(H4,11,12,13)/b7-4-
InChIKey
PVTRCZCFBBXXQG-DAXSKMNVSA-N
Compound name
2-[(Z)-3-phenylprop-2-enyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

175.11095 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.11823 138.8
[M+Na]+ 198.10017 144.1
[M-H]- 174.10367 142.5
[M+NH4]+ 193.14477 158.1
[M+K]+ 214.07411 141.4
[M+H-H2O]+ 158.10821 131.8
[M+HCOO]- 220.10915 165.8
[M+CH3COO]- 234.12480 188.2
[M+Na-2H]- 196.08562 144.5
[M]+ 175.11040 134.5
[M]- 175.11150 134.5
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

No patent data available for this compound.