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

5
Patents

160.10005 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.10733 132.8
[M+Na]+ 183.08927 140.2
[M-H]- 159.09277 137.8
[M+NH4]+ 178.13387 153.4
[M+K]+ 199.06321 137.1
[M+H-H2O]+ 143.09731 125.5
[M+HCOO]- 205.09825 157.0
[M+CH3COO]- 219.11390 146.4
[M+Na-2H]- 181.07472 138.2
[M]+ 160.09950 129.0
[M]- 160.10060 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