CID 211124

2h-pyrrol-5-amine, 3,4-dihydro-3-phenyl-

Structural Information

Molecular Formula
C10H12N2
SMILES
C1C(CN=C1N)C2=CC=CC=C2
InChI
InChI=1S/C10H12N2/c11-10-6-9(7-12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,11,12)
InChIKey
YFYOQDRJFPFZEO-UHFFFAOYSA-N
Compound name
3-phenyl-3,4-dihydro-2H-pyrrol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

160.10005 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.107326 132.8
[M+Na]+ 183.089268 140.2
[M-H]- 159.092774 137.8
[M+NH4]+ 178.133873 153.4
[M+K]+ 199.063208 137.1
[M+H-H2O]+ 143.097310 125.5
[M+HCOO]- 205.098251 157.0
[M+CH3COO]- 219.113901 146.4
[M+Na-2H]- 181.074716 138.2
[M]+ 160.09950142 129.0
[M]- 160.10059858 129.0
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