CID 67611079

2-(1-aminocyclopropyl)aniline

Structural Information

Molecular Formula
C9H12N2
SMILES
C1CC1(C2=CC=CC=C2N)N
InChI
InChI=1S/C9H12N2/c10-8-4-2-1-3-7(8)9(11)5-6-9/h1-4H,5-6,10-11H2
InChIKey
JYPHCLNBVNXPFR-UHFFFAOYSA-N
Compound name
2-(1-aminocyclopropyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

148.10005 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.107326 126.4
[M+Na]+ 171.089268 135.9
[M-H]- 147.092774 133.8
[M+NH4]+ 166.133873 144.0
[M+K]+ 187.063208 133.1
[M+H-H2O]+ 131.097310 121.2
[M+HCOO]- 193.098251 152.1
[M+CH3COO]- 207.113901 182.3
[M+Na-2H]- 169.074716 134.5
[M]+ 148.09950142 125.2
[M]- 148.10059858 125.2
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