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

236
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 123.0
[M+Na]+ 156.07836 132.6
[M-H]- 132.08186 130.6
[M+NH4]+ 151.12296 139.8
[M+K]+ 172.05230 129.5
[M+H-H2O]+ 116.08640 116.9
[M+HCOO]- 178.08734 148.7
[M+CH3COO]- 192.10299 178.6
[M+Na-2H]- 154.06381 130.8
[M]+ 133.08859 122.9
[M]- 133.08969 122.9
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