CID 424661

3-phenylpropanimidamide hydrochloride

Structural Information

Molecular Formula
C9H12N2
SMILES
C1=CC=C(C=C1)CCC(=N)N
InChI
InChI=1S/C9H12N2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H3,10,11)
InChIKey
NMPXWFVESZSJFH-UHFFFAOYSA-N
Compound name
3-phenylpropanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

148.10005 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.10733 131.6
[M+Na]+ 171.08927 137.3
[M-H]- 147.09277 134.5
[M+NH4]+ 166.13387 151.8
[M+K]+ 187.06321 134.8
[M+H-H2O]+ 131.09731 125.4
[M+HCOO]- 193.09825 156.7
[M+CH3COO]- 207.11390 180.3
[M+Na-2H]- 169.07472 138.1
[M]+ 148.09950 127.6
[M]- 148.10060 127.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe