CID 68786528

3-chloro-4-cyclopropylaniline

Structural Information

Molecular Formula
C9H10ClN
SMILES
C1CC1C2=C(C=C(C=C2)N)Cl
InChI
InChI=1S/C9H10ClN/c10-9-5-7(11)3-4-8(9)6-1-2-6/h3-6H,1-2,11H2
InChIKey
CPYMIPAOYNLSBP-UHFFFAOYSA-N
Compound name
3-chloro-4-cyclopropylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

167.05017 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.05745 131.0
[M+Na]+ 190.03939 146.4
[M+NH4]+ 185.08399 141.7
[M+K]+ 206.01333 140.3
[M-H]- 166.04289 142.6
[M+Na-2H]- 188.02484 142.3
[M]+ 167.04962 137.9
[M]- 167.05072 137.9
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