CID 12032139

3-cyclopropylaniline

Structural Information

Molecular Formula
C9H11N
SMILES
C1CC1C2=CC(=CC=C2)N
InChI
InChI=1S/C9H11N/c10-9-3-1-2-8(6-9)7-4-5-7/h1-3,6-7H,4-5,10H2
InChIKey
LKJYNYKTZLTHJN-UHFFFAOYSA-N
Compound name
3-cyclopropylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

225
Patents

133.08914 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.09642 127.5
[M+Na]+ 156.07836 141.8
[M+NH4]+ 151.12296 138.0
[M+K]+ 172.05230 136.2
[M-H]- 132.08186 139.1
[M+Na-2H]- 154.06381 138.9
[M]+ 133.08859 133.9
[M]- 133.08969 133.9
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