CID 13275

(3-phenylpropoxy)guanidine nitrate

Structural Information

Molecular Formula
C10H15N3O
SMILES
C1=CC=C(C=C1)CCCON=C(N)N
InChI
InChI=1S/C10H15N3O/c11-10(12)13-14-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H4,11,12,13)
InChIKey
ZUERSTDJCPVBBO-UHFFFAOYSA-N
Compound name
2-(3-phenylpropoxy)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

193.1215 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.12878 142.4
[M+Na]+ 216.11072 147.3
[M-H]- 192.11422 146.0
[M+NH4]+ 211.15532 160.9
[M+K]+ 232.08466 145.6
[M+H-H2O]+ 176.11876 135.0
[M+HCOO]- 238.11970 169.4
[M+CH3COO]- 252.13535 191.8
[M+Na-2H]- 214.09617 148.1
[M]+ 193.12095 140.3
[M]- 193.12205 140.3
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