CID 10630813

303021-35-4

Structural Information

Molecular Formula
C10H11NO
SMILES
C1CC1C(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C10H11NO/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7H,1-2,11H2
InChIKey
HQUVJEFKHBNWDN-UHFFFAOYSA-N
Compound name
(4-aminophenyl)-cyclopropylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

161.08406 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 130.3
[M+Na]+ 184.07328 139.4
[M-H]- 160.07678 137.8
[M+NH4]+ 179.11788 145.8
[M+K]+ 200.04722 136.2
[M+H-H2O]+ 144.08132 124.0
[M+HCOO]- 206.08226 155.0
[M+CH3COO]- 220.09791 183.4
[M+Na-2H]- 182.05873 136.2
[M]+ 161.08351 130.6
[M]- 161.08461 130.6
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