CID 76618

2-cyclopropylaniline

Structural Information

Molecular Formula
C9H11N
SMILES
C1CC1C2=CC=CC=C2N
InChI
InChI=1S/C9H11N/c10-9-4-2-1-3-8(9)7-5-6-7/h1-4,7H,5-6,10H2
InChIKey
JSKOLQWFMXYJAF-UHFFFAOYSA-N
Compound name
2-cyclopropylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

296
Patents

133.08914 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.096416 123.0
[M+Na]+ 156.078358 132.6
[M-H]- 132.081864 130.6
[M+NH4]+ 151.122963 139.8
[M+K]+ 172.052298 129.5
[M+H-H2O]+ 116.086400 116.9
[M+HCOO]- 178.087341 148.7
[M+CH3COO]- 192.102991 178.6
[M+Na-2H]- 154.063806 130.8
[M]+ 133.08859142 122.9
[M]- 133.08968858 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

literature stripe

Patent stripe

patents stripe